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

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl] 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid [2-oxo-2-(2-oxo-1-imidazolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid [2-keto-2-(2-ketoimidazolidin-1-yl)ethyl] ester Formula: C19H18N4O6 MolecularWeight: 398.36942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1)C(=O)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(=O)N1)C(=O)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O6/c24-17(22-9-8-20-19(22)26)12-29-18(25)14-6-7-15(16(10-14)23(27)28)21-11-13-4-2-1-3-5-13/h1-7,10,21H,8-9,11-12H2,(H,20,26)