[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 4-[(3R)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3R)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3R)-3-methylpiperidino]-3-nitro-benzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=C(C=CC(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=C(C=CC(=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O5/c1-15-6-7-17(3)19(11-15)22(26)14-30-23(27)18-8-9-20(21(12-18)25(28)29)24-10-4-5-16(2)13-24/h6-9,11-12,16H,4-5,10,13-14H2,1-3H3/t16-/m1/s1