[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-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] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (2-keto-2-mesidino-1-methyl-ethyl) ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5/c1-11-8-12(2)18(13(3)9-11)22-19(24)14(4)28-20(25)15-6-7-16(21-5)17(10-15)23(26)27/h6-10,14,21H,1-5H3,(H,22,24)