(3,3-dimethyl-2-oxidanylidene-butyl) 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O5/c1-13-6-5-9-20(11-13)15-8-7-14(10-16(15)21(24)25)18(23)26-12-17(22)19(2,3)4/h7-8,10,13H,5-6,9,11-12H2,1-4H3