3-oxidanylidenebutan-2-yl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (1-methyl-2-oxo-propyl) 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid (2-keto-1-methyl-propyl) ester Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5/c1-11-5-4-8-18(10-11)15-7-6-14(9-16(15)19(22)23)17(21)24-13(3)12(2)20/h6-7,9,11,13H,4-5,8,10H2,1-3H3