[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl] ester Formula: C19H26N2O7 MolecularWeight: 394.41894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CC(CC(C2)C)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)N2C[C@@H](C[C@H](C2)C)C)[N+](=O)[O-])OC

InChI

InChI=1S/C19H26N2O7/c1-5-27-17-7-14(15(21(24)25)8-16(17)26-4)19(23)28-11-18(22)20-9-12(2)6-13(3)10-20/h7-8,12-13H,5-6,9-11H2,1-4H3/t12-,13-/m1/s1