(Z)-3-(4-methoxyphenyl)-2-(4-oxidanylidene-3H-phthalazin-1-yl)prop-2-enenitrile

Systemtic Name: (Z)-3-(4-methoxyphenyl)-2-(4-oxidanylidene-3H-phthalazin-1-yl)prop-2-enenitrile Openeye Name: (Z)-3-(4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)prop-2-enenitrile CAS Name: (Z)-3-(4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)-2-propenenitrile IUPAC Name: (Z)-3-(4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)prop-2-enenitrile Traditional Name: (Z)-2-(4-keto-3H-phthalazin-1-yl)-3-(4-methoxyphenyl)acrylonitrile Formula: C18H13N3O2 MolecularWeight: 303.31472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C#N)/C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H13N3O2/c1-23-14-8-6-12(7-9-14)10-13(11-19)17-15-4-2-3-5-16(15)18(22)21-20-17/h2-10H,1H3,(H,21,22)/b13-10+