[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6/c1-27-17-10-9-15(13-16(17)22(25)26)20(24)28-18(14-7-3-2-4-8-14)19(23)21-11-5-6-12-21/h2-4,7-10,13,18H,5-6,11-12H2,1H3/t18-/m1/s1