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

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 1-benzyl-6-oxo-pyridazine-3-carboxylate CAS Name: 6-oxo-1-(phenylmethyl)-3-pyridazinecarboxylic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-benzyl-6-keto-pyridazine-3-carboxylic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H20N2O4/c1-15-8-9-18(16(2)12-15)20(25)14-28-22(27)19-10-11-21(26)24(23-19)13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3