[1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 4-methyl-3-nitro-benzoate

Systemtic Name: [1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 4-methyl-3-nitro-benzoate Openeye Name: [1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-1-methyl-2-(4-methylpiperidino)ethyl] ester Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5/c1-11-6-8-18(9-7-11)16(20)13(3)24-17(21)14-5-4-12(2)15(10-14)19(22)23/h4-5,10-11,13H,6-9H2,1-3H3