3-[(3,4-dimethoxyphenyl)carbonylamino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-[(3,4-dimethoxyphenyl)carbonylamino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid Openeye Name: 3-[(3,4-dimethoxybenzoyl)amino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid CAS Name: 3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-5-(3-nitrophenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(3,4-dimethoxybenzoyl)amino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid Traditional Name: 5-(3-nitrophenyl)-3-(veratroylamino)-2-thenoic acid Formula: C20H16N2O7S MolecularWeight: 428.41524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(SC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(SC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)OC

InChI

InChI=1S/C20H16N2O7S/c1-28-15-7-6-12(9-16(15)29-2)19(23)21-14-10-17(30-18(14)20(24)25)11-4-3-5-13(8-11)22(26)27/h3-10H,1-2H3,(H,21,23)(H,24,25)