[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N2O7/c1-28-17-12-15(16(23(26)27)13-18(17)29-2)21(25)30-19(14-8-4-3-5-9-14)20(24)22-10-6-7-11-22/h3-5,8-9,12-13,19H,6-7,10-11H2,1-2H3/t19-/m1/s1