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

Systemtic Name: 2-[6-(4-bromophenyl)-2-[(2-chloranyl-4-methyl-phenyl)methyl]-3-oxidanylidene-pyridazin-4-yl]ethanoic acid Openeye Name: 2-[6-(4-bromophenyl)-2-[(2-chloro-4-methyl-phenyl)methyl]-3-oxo-pyridazin-4-yl]acetic acid CAS Name: 2-[6-(4-bromophenyl)-2-[(2-chloro-4-methylphenyl)methyl]-3-oxo-4-pyridazinyl]acetic acid IUPAC Name: 2-[6-(4-bromophenyl)-2-[(2-chloro-4-methylphenyl)methyl]-3-oxopyridazin-4-yl]acetic acid Traditional Name: 2-[6-(4-bromophenyl)-2-(2-chloro-4-methyl-benzyl)-3-keto-pyridazin-4-yl]acetic acid Formula: C20H16BrClN2O3 MolecularWeight: 447.70964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2C(=O)C(=CC(=N2)C3=CC=C(C=C3)Br)CC(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C(=O)C(=CC(=N2)C3=CC=C(C=C3)Br)CC(=O)O)Cl

InChI

InChI=1S/C20H16BrClN2O3/c1-12-2-3-14(17(22)8-12)11-24-20(27)15(10-19(25)26)9-18(23-24)13-4-6-16(21)7-5-13/h2-9H,10-11H2,1H3,(H,25,26)