[1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [1-methyl-2-(N-methylanilino)-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [1-(N-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-keto-1-methyl-2-(N-methylanilino)ethyl] ester Formula: C19H21N3O6 MolecularWeight: 387.38654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C19H21N3O6/c1-13(18(24)21(2)14-6-4-3-5-7-14)28-19(25)16-12-15(22(26)27)8-9-17(16)20-10-11-23/h3-9,12-13,20,23H,10-11H2,1-2H3