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

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

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O5/c1-15-7-11-21(12-8-15)17-6-5-16(13-18(17)23(26)27)20(25)28-14-19(24)22-9-3-2-4-10-22/h5-6,13,15H,2-4,7-12,14H2,1H3