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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid 2-phthalimidoethyl ester Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCO)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCO)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H17N3O6/c25-11-9-24-20(28)14-6-2-1-5-13(14)17(22-24)21(29)30-12-10-23-18(26)15-7-3-4-8-16(15)19(23)27/h1-8,25H,9-12H2