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

Systemtic Name: (1-methoxy-1-oxidanylidene-propan-2-yl) 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (2-methoxy-1-methyl-2-oxo-ethyl) 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid (1-methoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-methoxy-1-oxopropan-2-yl) 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid (2-keto-2-methoxy-1-methyl-ethyl) ester Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O6/c1-11-5-4-8-18(10-11)14-7-6-13(9-15(14)19(22)23)17(21)25-12(2)16(20)24-3/h6-7,9,11-12H,4-5,8,10H2,1-3H3