[4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate

Systemtic Name: [4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate Openeye Name: [4-(2,6-dimethylanilino)-4-oxo-butyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid [4-(2,6-dimethylanilino)-4-oxobutyl] ester IUPAC Name: [4-(2,6-dimethylanilino)-4-oxobutyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-4,5-dihydro-1H-pyridazine-3-carboxylic acid [4-(2,6-dimethylanilino)-4-keto-butyl] ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCOC(=O)C2=NNC(=O)CC2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCOC(=O)C2=NNC(=O)CC2

InChI

InChI=1S/C17H21N3O4/c1-11-5-3-6-12(2)16(11)18-14(21)7-4-10-24-17(23)13-8-9-15(22)20-19-13/h3,5-6H,4,7-10H2,1-2H3,(H,18,21)(H,20,22)