3-[1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(1-acetylindolin-5-yl)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(1-acetylindolin-5-yl)-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C22H19N3O5/c1-12(20(27)15-7-8-18-14(11-15)9-10-24(18)13(2)26)25-21(28)17-6-4-3-5-16(17)19(23-25)22(29)30/h3-8,11-12H,9-10H2,1-2H3,(H,29,30)