[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(4-benzyl-1-piperidyl)-5-nitro-benzoate CAS Name: 5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(4-benzylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-benzylpiperidino)-5-nitro-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C24H26N4O5 MolecularWeight: 450.48704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C24H26N4O5/c25-11-4-12-26-23(29)17-33-24(30)21-16-20(28(31)32)7-8-22(21)27-13-9-19(10-14-27)15-18-5-2-1-3-6-18/h1-3,5-8,16,19H,4,9-10,12-15,17H2,(H,26,29)