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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCN3C(=O)C4=CC=CC=C4C3=O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCN3C(=O)C4=CC=CC=C4C3=O)C(=O)O

InChI

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