ethyl 4-(3-methylbutanoylamino)-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-(3-methylbutanoylamino)-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(3-methylbutanoylamino)-1-(o-tolyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[(3-methyl-1-oxobutyl)amino]-1-(2-methylphenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methylbutanoylamino)-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-(isovalerylamino)-6-keto-1-(o-tolyl)pyridazine-3-carboxylic acid ethyl ester Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CC(C)C)C2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CC(C)C)C2=CC=CC=C2C

InChI

InChI=1S/C19H23N3O4/c1-5-26-19(25)18-14(20-16(23)10-12(2)3)11-17(24)22(21-18)15-9-7-6-8-13(15)4/h6-9,11-12H,5,10H2,1-4H3,(H,20,23)