[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-ethanoylpiperidine-3-carboxylate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-ethanoylpiperidine-3-carboxylate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 1-acetylpiperidine-3-carboxylate CAS Name: 1-acetyl-3-piperidinecarboxylic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 1-acetylpiperidine-3-carboxylate Traditional Name: 1-acetylnipecotic acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3CCCN(C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3CCCN(C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O6/c1-15-10-11-19(20(13-15)26(30)31)24-22(28)21(17-7-4-3-5-8-17)32-23(29)18-9-6-12-25(14-18)16(2)27/h3-5,7-8,10-11,13,18,21H,6,9,12,14H2,1-2H3,(H,24,28)