(2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 2-methoxy-5-nitro-benzoate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 2-methoxy-5-nitro-benzoate Openeye Name: (2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl) 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid (2-keto-1-phenyl-2-pyrrolidino-ethyl) ester Formula: C20H20N2O6 MolecularWeight: 384.3826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6/c1-27-17-10-9-15(22(25)26)13-16(17)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