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

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H26N4O5 MolecularWeight: 450.48704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3C#N)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3C#N)[N+](=O)[O-])C

InChI

InChI=1S/C24H26N4O5/c1-15-10-16(2)14-27(13-15)21-9-8-18(11-22(21)28(31)32)24(30)33-17(3)23(29)26-20-7-5-4-6-19(20)12-25/h4-9,11,15-17H,10,13-14H2,1-3H3,(H,26,29)