5-(3-nitrophenyl)-3-[(1-phenylcyclopropyl)carbonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-(3-nitrophenyl)-3-[(1-phenylcyclopropyl)carbonylamino]thiophene-2-carboxylic acid Openeye Name: 5-(3-nitrophenyl)-3-[(1-phenylcyclopropanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-(3-nitrophenyl)-3-[[oxo-(1-phenylcyclopropyl)methyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(3-nitrophenyl)-3-[(1-phenylcyclopropanecarbonyl)amino]thiophene-2-carboxylic acid Traditional Name: 5-(3-nitrophenyl)-3-[(1-phenylcyclopropanecarbonyl)amino]-2-thenoic acid Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=CC=C2)C(=O)NC3=C(SC(=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC1(C2=CC=CC=C2)C(=O)NC3=C(SC(=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H16N2O5S/c24-19(25)18-16(12-17(29-18)13-5-4-8-15(11-13)23(27)28)22-20(26)21(9-10-21)14-6-2-1-3-7-14/h1-8,11-12H,9-10H2,(H,22,26)(H,24,25)