[2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-oxo-2-[4-(2-oxo-1-pyrrolidinyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-keto-2-[4-(2-ketopyrrolidino)phenyl]ethyl] ester Formula: C21H20N2O7 MolecularWeight: 412.3927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)N3CCCC3=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)N3CCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O7/c1-2-29-19-10-7-15(12-17(19)23(27)28)21(26)30-13-18(24)14-5-8-16(9-6-14)22-11-3-4-20(22)25/h5-10,12H,2-4,11,13H2,1H3