[2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-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] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-keto-2-[4-(2-ketopyrrolidino)phenyl]ethyl] ester Formula: C21H21N3O7 MolecularWeight: 427.40734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

InChI

InChI=1S/C21H21N3O7/c25-11-9-22-18-8-7-16(24(29)30)12-17(18)21(28)31-13-19(26)14-3-5-15(6-4-14)23-10-1-2-20(23)27/h3-8,12,22,25H,1-2,9-11,13H2