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

Systemtic Name: [1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-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] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (2-keto-2-mesidino-1-methyl-ethyl) ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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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[N+](=O)[O-])OC)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7/c1-11-7-12(2)19(13(3)8-11)22-20(24)14(4)30-21(25)15-9-17(28-5)18(29-6)10-16(15)23(26)27/h7-10,14H,1-6H3,(H,22,24)