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

Systemtic Name: 3-cyanopropyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: 3-cyanopropyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid 3-cyanopropyl ester Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4/c15-7-3-4-8-21-12(18)9-17-14(20)11-6-2-1-5-10(11)13(19)16-17/h1-2,5-6H,3-4,8-9H2,(H,16,19)