(4-cyanophenyl)methyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate

Systemtic Name: (4-cyanophenyl)methyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: (4-cyanophenyl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid (4-cyanobenzyl) ester Formula: C18H13N3O4 MolecularWeight: 335.31352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN(C2=O)CC(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN(C2=O)CC(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H13N3O4/c19-9-12-5-7-13(8-6-12)11-25-16(22)10-21-18(24)15-4-2-1-3-14(15)17(23)20-21/h1-8H,10-11H2,(H,20,23)