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

Systemtic Name: methyl 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C17H22N2O6/c1-11-6-12(2)9-18(8-11)16(20)10-25-15-5-4-13(17(21)24-3)7-14(15)19(22)23/h4-5,7,11-12H,6,8-10H2,1-3H3/t11-,12-/m1/s1