(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 4-[(2-chlorophenyl)methylamino]-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 4-[(2-chlorophenyl)methylamino]-3-nitro-benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 4-[(2-chlorophenyl)methylamino]-3-nitro-benzoate CAS Name: 4-[(2-chlorophenyl)methylamino]-3-nitrobenzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-chlorophenyl)methylamino]-3-nitrobenzoate Traditional Name: 4-[(2-chlorobenzyl)amino]-3-nitro-benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C20H20ClN3O5 MolecularWeight: 417.8429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O5/c21-16-6-2-1-5-15(16)12-22-17-8-7-14(11-18(17)24(27)28)20(26)29-13-19(25)23-9-3-4-10-23/h1-2,5-8,11,22H,3-4,9-10,12-13H2