N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-keto-3H-phthalazine-1-carboxamide Formula: C18H14N4O4 MolecularWeight: 350.32816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NNC(=O)C2=CC=CC=C21)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C/C(=N\NC(=O)C1=NNC(=O)C2=CC=CC=C21)/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H14N4O4/c1-10(11-6-7-14-15(8-11)26-9-25-14)19-22-18(24)16-12-4-2-3-5-13(12)17(23)21-20-16/h2-8H,9H2,1H3,(H,21,23)(H,22,24)/b19-10+