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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid 4-phthalimidobutyl ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H17N3O5/c25-18-14-8-2-1-7-13(14)17(22-23-18)21(28)29-12-6-5-11-24-19(26)15-9-3-4-10-16(15)20(24)27/h1-4,7-10H,5-6,11-12H2,(H,23,25)