4-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-7-methoxy-1H-phthalazine-2-carboxylic acid

Systemtic Name: 4-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-7-methoxy-1H-phthalazine-2-carboxylic acid Openeye Name: 4-[(3,5-dichloro-4-pyridyl)methyl]-7-methoxy-1H-phthalazine-2-carboxylic acid CAS Name: 4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1H-phthalazine-2-carboxylic acid IUPAC Name: 4-[(3,5-dichloropyridin-4-yl)methyl]-7-methoxy-1H-phthalazine-2-carboxylic acid Traditional Name: 4-[(3,5-dichloro-4-pyridyl)methyl]-7-methoxy-1H-phthalazine-2-carboxylic acid Formula: C16H13Cl2N3O3 MolecularWeight: 366.19872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NN(C2)C(=O)O)CC3=C(C=NC=C3Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NN(C2)C(=O)O)CC3=C(C=NC=C3Cl)Cl

InChI

InChI=1S/C16H13Cl2N3O3/c1-24-10-2-3-11-9(4-10)8-21(16(22)23)20-15(11)5-12-13(17)6-19-7-14(12)18/h2-4,6-7H,5,8H2,1H3,(H,22,23)