[1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-[(2-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-[(2-chlorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H20ClN3O6 MolecularWeight: 421.8316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1Cl)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1Cl)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C19H20ClN3O6/c1-12(18(25)22-11-13-4-2-3-5-16(13)20)29-19(26)15-10-14(23(27)28)6-7-17(15)21-8-9-24/h2-7,10,12,21,24H,8-9,11H2,1H3,(H,22,25)