(1-oxidanylidene-1-phenyl-propan-2-yl) 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O5/c1-15-10-12-23(13-11-15)19-9-8-18(14-20(19)24(27)28)22(26)29-16(2)21(25)17-6-4-3-5-7-17/h3-9,14-16H,10-13H2,1-2H3