[(2S)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C19H21N3O6/c1-12-5-3-4-6-16(12)21-18(24)13(2)28-19(25)15-11-14(22(26)27)7-8-17(15)20-9-10-23/h3-8,11,13,20,23H,9-10H2,1-2H3,(H,21,24)/t13-/m0/s1