2-[3,5-bis(bromanyl)-4-[(6-oxidanylidene-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3,5-bis(bromanyl)-4-[(6-oxidanylidene-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]ethanoic acid Openeye Name: 2-[3,5-dibromo-4-[(5-isopropyl-6-oxo-1H-pyridazin-3-yl)methyl]phenyl]acetic acid CAS Name: 2-[3,5-dibromo-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]acetic acid IUPAC Name: 2-[3,5-dibromo-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]phenyl]acetic acid Traditional Name: 2-[3,5-dibromo-4-[(5-isopropyl-6-keto-1H-pyridazin-3-yl)methyl]phenyl]acetic acid Formula: C16H16Br2N2O3 MolecularWeight: 444.11784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NNC1=O)CC2=C(C=C(C=C2Br)CC(=O)O)Br

Isomeric SMILES

CC(C)C1=CC(=NNC1=O)CC2=C(C=C(C=C2Br)CC(=O)O)Br

InChI

InChI=1S/C16H16Br2N2O3/c1-8(2)11-6-10(19-20-16(11)23)7-12-13(17)3-9(4-14(12)18)5-15(21)22/h3-4,6,8H,5,7H2,1-2H3,(H,20,23)(H,21,22)