1-(2-chloranyl-4-methyl-phenyl)-4-oxidanylidene-6-(phenylmethyl)pyridazine-3,5-dicarboxylic acid

Systemtic Name: 1-(2-chloranyl-4-methyl-phenyl)-4-oxidanylidene-6-(phenylmethyl)pyridazine-3,5-dicarboxylic acid Openeye Name: 6-benzyl-1-(2-chloro-4-methyl-phenyl)-4-oxo-pyridazine-3,5-dicarboxylic acid CAS Name: 1-(2-chloro-4-methylphenyl)-4-oxo-6-(phenylmethyl)pyridazine-3,5-dicarboxylic acid IUPAC Name: 6-benzyl-1-(2-chloro-4-methylphenyl)-4-oxopyridazine-3,5-dicarboxylic acid Traditional Name: 6-benzyl-1-(2-chloro-4-methyl-phenyl)-4-keto-pyridazine-3,5-dicarboxylic acid Formula: C20H15ClN2O5 MolecularWeight: 398.7965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C(C(=O)C(=N2)C(=O)O)C(=O)O)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C(C(=O)C(=N2)C(=O)O)C(=O)O)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H15ClN2O5/c1-11-7-8-14(13(21)9-11)23-15(10-12-5-3-2-4-6-12)16(19(25)26)18(24)17(22-23)20(27)28/h2-9H,10H2,1H3,(H,25,26)(H,27,28)