[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-phenylpyrazole-4-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O5/c1-13(18(24)21-15-6-5-9-17(10-15)23(26)27)28-19(25)14-11-20-22(12-14)16-7-3-2-4-8-16/h2-13H,1H3,(H,21,24)