[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C23H26N4O6 MolecularWeight: 454.47574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C23H26N4O6/c1-14-9-15(2)12-26(11-14)19-8-5-17(10-20(19)27(31)32)23(30)33-13-21(28)25-18-6-3-16(4-7-18)22(24)29/h3-8,10,14-15H,9,11-13H2,1-2H3,(H2,24,29)(H,25,28)