[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H26N4O6 MolecularWeight: 454.47574

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O6/c1-14-4-3-11-26(13-14)19-10-7-17(12-20(19)27(31)32)23(30)33-15(2)22(29)25-18-8-5-16(6-9-18)21(24)28/h5-10,12,14-15H,3-4,11,13H2,1-2H3,(H2,24,28)(H,25,29)