(2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O5/c1-15-6-5-11-22(13-15)17-8-7-16(12-18(17)23(26)27)20(25)28-14-19(24)21-9-3-2-4-10-21/h7-8,12,15H,2-6,9-11,13-14H2,1H3