[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylthiophene-2-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylthiophene-2-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3-phenylthiophene-2-carboxylate CAS Name: 3-phenyl-2-thiophenecarboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3-phenylthiophene-2-carboxylate Traditional Name: 3-phenylthiophene-2-carboxylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=C(C=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=C(C=CS2)C3=CC=CC=C3

InChI

InChI=1S/C20H16N2O5S/c1-13(19(23)21-15-8-5-9-16(12-15)22(25)26)27-20(24)18-17(10-11-28-18)14-6-3-2-4-7-14/h2-13H,1H3,(H,21,23)