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

Systemtic Name: (2-naphthalen-1-yl-2-oxidanylidene-ethyl) 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-(1-naphthyl)-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-(1-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-1-yl-2-oxoethyl) 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-keto-2-(1-naphthyl)ethyl] ester Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C24H22N2O5/c27-23(20-10-6-8-17-7-2-3-9-19(17)20)16-31-24(28)18-11-12-21(22(15-18)26(29)30)25-13-4-1-5-14-25/h2-3,6-12,15H,1,4-5,13-14,16H2