[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCCN2C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7/c1-28-16-8-9-19(29-2)17(12-16)18-7-4-10-22(18)20(24)13-30-21(25)14-5-3-6-15(11-14)23(26)27/h3,5-6,8-9,11-12,18H,4,7,10,13H2,1-2H3/t18-/m1/s1