(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c24-19(22-10-4-5-11-22)14-28-20(25)16-8-9-17(18(12-16)23(26)27)21-13-15-6-2-1-3-7-15/h1-3,6-9,12,21H,4-5,10-11,13-14H2