N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-keto-3H-phthalazine-1-carboxamide Formula: C17H12BrN3O4 MolecularWeight: 402.19888

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C17H12BrN3O4/c18-11-7-13-14(25-6-5-24-13)8-12(11)19-17(23)15-9-3-1-2-4-10(9)16(22)21-20-15/h1-4,7-8H,5-6H2,(H,19,23)(H,21,22)