2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid 2-phthalimidoethyl ester Formula: C19H13N3O5 MolecularWeight: 363.32362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H13N3O5/c23-16-12-6-2-1-5-11(12)15(20-21-16)19(26)27-10-9-22-17(24)13-7-3-4-8-14(13)18(22)25/h1-8H,9-10H2,(H,21,23)