4-[[(3R)-5-chloranyl-3-oxidanyl-2-oxidanylidene-1H-indol-3-yl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[(3R)-5-chloranyl-3-oxidanyl-2-oxidanylidene-1H-indol-3-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[(3R)-5-chloro-3-hydroxy-2-oxo-indolin-3-yl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[(3R)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[(3R)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[(3R)-5-chloro-3-hydroxy-2-keto-indolin-3-yl]methyl]-2H-phthalazin-1-one Formula: C17H12ClN3O3 MolecularWeight: 341.74848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC3(C4=C(C=CC(=C4)Cl)NC3=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C[C@]3(C4=C(C=CC(=C4)Cl)NC3=O)O

InChI

InChI=1S/C17H12ClN3O3/c18-9-5-6-13-12(7-9)17(24,16(23)19-13)8-14-10-3-1-2-4-11(10)15(22)21-20-14/h1-7,24H,8H2,(H,19,23)(H,21,22)/t17-/m1/s1