[(1R)-2-oxidanylidenecyclohexyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: [(1R)-2-oxidanylidenecyclohexyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: [(1R)-2-oxocyclohexyl] 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid [(1R)-2-oxocyclohexyl] ester IUPAC Name: [(1R)-2-oxocyclohexyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid [(1R)-2-ketocyclohexyl] ester Formula: C19H24N2O5 MolecularWeight: 360.40426

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC3CCCCC3=O)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)O[C@@H]3CCCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H24N2O5/c1-13-5-4-10-20(12-13)15-9-8-14(11-16(15)21(24)25)19(23)26-18-7-3-2-6-17(18)22/h8-9,11,13,18H,2-7,10,12H2,1H3/t13-,18+/m0/s1