[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: [2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: [2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl] 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid [2-[(2-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C23H20ClN3O5 MolecularWeight: 453.875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C23H20ClN3O5/c24-20-9-5-4-8-17(20)14-26-22(28)15-32-23(29)19-12-18(27(30)31)10-11-21(19)25-13-16-6-2-1-3-7-16/h1-12,25H,13-15H2,(H,26,28)