(6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C18H13BrN2O5 MolecularWeight: 417.21022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C18H13BrN2O5/c1-21-17(22)12-5-3-2-4-11(12)16(20-21)18(23)24-8-10-6-14-15(7-13(10)19)26-9-25-14/h2-7H,8-9H2,1H3