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

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-1-phenyl-pyridazine-3-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 6-methyl-4-oxo-1-phenyl-pyridazine-3-carboxylate CAS Name: 6-methyl-4-oxo-1-phenyl-3-pyridazinecarboxylic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate Traditional Name: 4-keto-6-methyl-1-phenyl-pyridazine-3-carboxylic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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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)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H21N3O4/c1-14-9-10-17(11-15(14)2)23-20(27)13-29-22(28)21-19(26)12-16(3)25(24-21)18-7-5-4-6-8-18/h4-12H,13H2,1-3H3,(H,23,27)