[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-phenyl-1H-pyrazole-4-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-phenyl-1H-pyrazole-4-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 5-phenyl-1H-pyrazole-4-carboxylate CAS Name: 5-phenyl-1H-pyrazole-4-carboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 5-phenyl-1H-pyrazole-4-carboxylate Traditional Name: 5-phenyl-1H-pyrazole-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=C(NN=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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