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

Systemtic Name: (2-naphthalen-1-yl-2-oxidanylidene-ethyl) 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(1-naphthyl)-2-oxo-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-(1-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-1-yl-2-oxoethyl) 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-keto-2-(1-naphthyl)ethyl] ester Formula: C25H24N2O5 MolecularWeight: 432.46846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C25H24N2O5/c1-17-6-5-13-26(15-17)22-12-11-19(14-23(22)27(30)31)25(29)32-16-24(28)21-10-4-8-18-7-2-3-9-20(18)21/h2-4,7-12,14,17H,5-6,13,15-16H2,1H3