2-[3-(4-nitrophenyl)acryloyl]benzenecarboxylic acid (E)-2-(3-(4-硝基苯基)丙烯酰基)苯甲酸

CAS 6261-66-1 MFCD03617865

化学结构图

6261-66-1
SMILES: O=C(O)c1ccccc1C(=O)C=Cc1ccc([N+](=O)[O-])cc1

化学属性

Mol. FormulaC16H11NO5
Mol. Weight297.26
Melting Point187-189 °C

别名和识别编码

Chemical Name2-[3-(4-nitrophenyl)acryloyl]benzenecarboxylic acid
Alfabeta NameNITROPHENYLACRYLOYLBENZENECARBOXYLICACID 234[]()----
MDL NumberMFCD03617865
CAS Number6261-66-1
Chemical Name Translation(E)-2-(3-(4-硝基苯基)丙烯酰基)苯甲酸
LabNetwork Molecule IDLN00150829
PubChem Substance ID2764545
InChIInChI=1S/C16H11NO5/c18-15(13-3-1-2-4-14(13)16(19)20)10-7-11-5-8-12(9-6-11)17(21)22/h1-10H,(H,19,20)
Synonym (E)-2-(3-(4-nitrophenyl)acryloyl)benzoic acid {LY} (E)-2-(3-(4-nitrophenyl)acryloyl)benzoic acid {} {LY} (E)-2-(3-(4-nitrophenyl)acryloyl)benzoic acid {} {} {LY} (E)-2-(3-(4-nitrophenyl)acryloyl)benzoic acid {} {} {} {LY} (E)-2-(3-(4-nitrophenyl)acryloyl)benzoic acid {} {} {} {} {LY} (E)-2-(3-(4-nitrophenyl)acryloyl)benzoic acid {} {} {} {} {} {LY} (E)-2-(3-(4-nitrophenyl)acryloyl)benzoic acid {} {} {} {} {} {} {LY} (E)-2-(3-(4-nitrophenyl)acryloyl)benzoic acid {} {} {} {} {} {} {} {LY} (E)-2-(3-(4-nitrophenyl)acryloyl)benzoic acid {} {} {} {} {} {} {} {} {LY} (E)-2-(3-(4-nitrophenyl)acryloyl)benzoic acid {} {} {} {} {} {} {} {} {} {LY} (E)-2-(3-(4-nitrophenyl)acryloyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {LY} (E)-2-(3-(4-nitrophenyl)acryloyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} (E)-2-(3-(4-nitrophenyl)acryloyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} (E)-2-(3-(4-nitrophenyl)acryloyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {}
Canonical SMILESC1=CC=C(C(=C1)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O
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分类

  • {KO} Nitros
  • {KO} CarboxylicAcids
  • {KO} Ketones

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
5
Rotatable Bonds
5
H-bond Donors
1
LogP
3

系列性分类

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