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

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C23H30N4O5 MolecularWeight: 442.5081

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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(CCCCC3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3(CCCCC3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O5/c1-16-7-6-12-26(14-16)19-9-8-18(13-20(19)27(30)31)22(29)32-17(2)21(28)25-23(15-24)10-4-3-5-11-23/h8-9,13,16-17H,3-7,10-12,14H2,1-2H3,(H,25,28)