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

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

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

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