2-[2-[(2-chloranyl-4-methyl-phenyl)methyl]-6-(4-methylphenyl)-3-oxidanylidene-pyridazin-4-yl]ethanoic acid

Systemtic Name: 2-[2-[(2-chloranyl-4-methyl-phenyl)methyl]-6-(4-methylphenyl)-3-oxidanylidene-pyridazin-4-yl]ethanoic acid Openeye Name: 2-[2-[(2-chloro-4-methyl-phenyl)methyl]-3-oxo-6-(p-tolyl)pyridazin-4-yl]acetic acid CAS Name: 2-[2-[(2-chloro-4-methylphenyl)methyl]-6-(4-methylphenyl)-3-oxo-4-pyridazinyl]acetic acid IUPAC Name: 2-[2-[(2-chloro-4-methylphenyl)methyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]acetic acid Traditional Name: 2-[2-(2-chloro-4-methyl-benzyl)-3-keto-6-(p-tolyl)pyridazin-4-yl]acetic acid Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O3/c1-13-3-6-15(7-4-13)19-10-17(11-20(25)26)21(27)24(23-19)12-16-8-5-14(2)9-18(16)22/h3-10H,11-12H2,1-2H3,(H,25,26)