2-[4-[bis(chloranyl)-pyridin-4-yl-methyl]-7-methoxy-1-oxidanylidene-phthalazin-2-yl]ethanoic acid

Systemtic Name: 2-[4-[bis(chloranyl)-pyridin-4-yl-methyl]-7-methoxy-1-oxidanylidene-phthalazin-2-yl]ethanoic acid Openeye Name: 2-[4-[dichloro(4-pyridyl)methyl]-7-methoxy-1-oxo-phthalazin-2-yl]acetic acid CAS Name: 2-[4-[dichloro(pyridin-4-yl)methyl]-7-methoxy-1-oxo-2-phthalazinyl]acetic acid IUPAC Name: 2-[4-[dichloro(pyridin-4-yl)methyl]-7-methoxy-1-oxophthalazin-2-yl]acetic acid Traditional Name: 2-[4-[dichloro(4-pyridyl)methyl]-1-keto-7-methoxy-phthalazin-2-yl]acetic acid Formula: C17H13Cl2N3O4 MolecularWeight: 394.20882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NN(C2=O)CC(=O)O)C(C3=CC=NC=C3)(Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NN(C2=O)CC(=O)O)C(C3=CC=NC=C3)(Cl)Cl

InChI

InChI=1S/C17H13Cl2N3O4/c1-26-11-2-3-12-13(8-11)16(25)22(9-14(23)24)21-15(12)17(18,19)10-4-6-20-7-5-10/h2-8H,9H2,1H3,(H,23,24)