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

Systemtic Name: [2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-[(2-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H18ClN3O6 MolecularWeight: 407.80502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)Cl

InChI

InChI=1S/C18H18ClN3O6/c19-15-4-2-1-3-12(15)10-21-17(24)11-28-18(25)14-9-13(22(26)27)5-6-16(14)20-7-8-23/h1-6,9,20,23H,7-8,10-11H2,(H,21,24)