N-[(E)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(E)-(5-bromo-2-methoxy-phenyl)methyleneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(E)-(5-bromo-2-methoxy-benzylidene)amino]-4-keto-3H-phthalazine-1-carboxamide Formula: C17H13BrN4O3 MolecularWeight: 401.21412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=NNC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=N/NC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H13BrN4O3/c1-25-14-7-6-11(18)8-10(14)9-19-21-17(24)15-12-4-2-3-5-13(12)16(23)22-20-15/h2-9H,1H3,(H,21,24)(H,22,23)/b19-9+