N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-keto-3H-phthalazine-1-carboxamide Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=NNC(=O)C4=CC=CC=C43)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=NNC(=O)C4=CC=CC=C43)OCO2

InChI

InChI=1S/C18H13N3O5/c1-9(22)12-6-14-15(26-8-25-14)7-13(12)19-18(24)16-10-4-2-3-5-11(10)17(23)21-20-16/h2-7H,8H2,1H3,(H,19,24)(H,21,23)