[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (2-keto-2-mesidino-1-methyl-ethyl) ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)C

InChI

InChI=1S/C21H25N3O6/c1-12-9-13(2)19(14(3)10-12)23-20(26)15(4)30-21(27)17-11-16(24(28)29)5-6-18(17)22-7-8-25/h5-6,9-11,15,22,25H,7-8H2,1-4H3,(H,23,26)