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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C23H24N4O5 MolecularWeight: 436.46046

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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)CC#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O5/c1-16-3-2-12-26(14-16)20-9-6-18(13-21(20)27(30)31)23(29)32-15-22(28)25-19-7-4-17(5-8-19)10-11-24/h4-9,13,16H,2-3,10,12,14-15H2,1H3,(H,25,28)