5-(3-nitrophenyl)-3-(3-phenylpropanoylamino)thiophene-2-carboxylic acid

Systemtic Name: 5-(3-nitrophenyl)-3-(3-phenylpropanoylamino)thiophene-2-carboxylic acid Openeye Name: 5-(3-nitrophenyl)-3-(3-phenylpropanoylamino)thiophene-2-carboxylic acid CAS Name: 5-(3-nitrophenyl)-3-[(1-oxo-3-phenylpropyl)amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(3-nitrophenyl)-3-(3-phenylpropanoylamino)thiophene-2-carboxylic acid Traditional Name: 3-(hydrocinnamoylamino)-5-(3-nitrophenyl)-2-thenoic acid Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O5S/c23-18(10-9-13-5-2-1-3-6-13)21-16-12-17(28-19(16)20(24)25)14-7-4-8-15(11-14)22(26)27/h1-8,11-12H,9-10H2,(H,21,23)(H,24,25)