[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-[(3-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H18ClN3O6 MolecularWeight: 407.80502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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