[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-(2,5-dimethylphenyl)-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-(2,5-dimethylphenyl)-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate CAS Name: 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate Traditional Name: 1-(2,5-dimethylphenyl)-6-keto-4,5-dihydropyridazine-3-carboxylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H20N4O4/c1-14-6-7-15(2)19(10-14)26-21(28)9-8-18(25-26)22(29)30-13-20(27)24-17-5-3-4-16(11-17)12-23/h3-7,10-11H,8-9,13H2,1-2H3,(H,24,27)