[2-[[4-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-[[4-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-[4-(methylcarbamoyl)anilino]-2-oxo-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-keto-2-[4-(methylcarbamoyl)anilino]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)OCC(=O)NC3=CC=C(C=C3)C(=O)NC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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