[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 6-methyl-1-(2-nitrophenyl)-4-oxo-pyridazine-3-carboxylate CAS Name: 6-methyl-1-(2-nitrophenyl)-4-oxo-3-pyridazinecarboxylic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxylate Traditional Name: 4-keto-6-methyl-1-(2-nitrophenyl)pyridazine-3-carboxylic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C22H20N4O6 MolecularWeight: 436.4174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C22H20N4O6/c1-13-8-9-16(10-14(13)2)23-20(28)12-32-22(29)21-19(27)11-15(3)25(24-21)17-6-4-5-7-18(17)26(30)31/h4-11H,12H2,1-3H3,(H,23,28)