methyl 2-[4-(2-bromanylpyridin-4-yl)-6,7-dimethoxy-1-oxidanylidene-phthalazin-2-yl]ethanoate

Systemtic Name: methyl 2-[4-(2-bromanylpyridin-4-yl)-6,7-dimethoxy-1-oxidanylidene-phthalazin-2-yl]ethanoate Openeye Name: methyl 2-[4-(2-bromo-4-pyridyl)-6,7-dimethoxy-1-oxo-phthalazin-2-yl]acetate CAS Name: 2-[4-(2-bromo-4-pyridinyl)-6,7-dimethoxy-1-oxo-2-phthalazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(2-bromopyridin-4-yl)-6,7-dimethoxy-1-oxophthalazin-2-yl]acetate Traditional Name: 2-[4-(2-bromo-4-pyridyl)-1-keto-6,7-dimethoxy-phthalazin-2-yl]acetic acid methyl ester Formula: C18H16BrN3O5 MolecularWeight: 434.24074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NN(C2=O)CC(=O)OC)C3=CC(=NC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NN(C2=O)CC(=O)OC)C3=CC(=NC=C3)Br)OC

InChI

InChI=1S/C18H16BrN3O5/c1-25-13-7-11-12(8-14(13)26-2)18(24)22(9-16(23)27-3)21-17(11)10-4-5-20-15(19)6-10/h4-8H,9H2,1-3H3