[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 6-oxidanylidene-1H-pyridazine-3-carboxylate

Systemtic Name: [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 6-oxidanylidene-1H-pyridazine-3-carboxylate Openeye Name: [5-(p-tolyl)isoxazol-3-yl]methyl 6-oxo-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-1H-pyridazine-3-carboxylic acid [5-(4-methylphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 6-oxo-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-1H-pyridazine-3-carboxylic acid [5-(p-tolyl)isoxazol-3-yl]methyl ester Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=NNC(=O)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=NNC(=O)C=C3

InChI

InChI=1S/C16H13N3O4/c1-10-2-4-11(5-3-10)14-8-12(19-23-14)9-22-16(21)13-6-7-15(20)18-17-13/h2-8H,9H2,1H3,(H,18,20)