6-[2-(5-chloranyl-2-methyl-phenyl)-1-oxidanyl-3-oxidanylidene-isoindol-1-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(5-chloranyl-2-methyl-phenyl)-1-oxidanyl-3-oxidanylidene-isoindol-1-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(5-chloro-2-methyl-phenyl)-1-hydroxy-3-oxo-isoindolin-1-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(5-chloro-2-methylphenyl)-1-hydroxy-3-oxo-1-isoindolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(5-chloro-2-methylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(5-chloro-2-methyl-phenyl)-1-hydroxy-3-keto-isoindolin-1-yl]-4H-1,4-benzoxazin-3-one Formula: C23H17ClN2O4 MolecularWeight: 420.84508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=O)C3=CC=CC=C3C2(C4=CC5=C(C=C4)OCC(=O)N5)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=O)C3=CC=CC=C3C2(C4=CC5=C(C=C4)OCC(=O)N5)O

InChI

InChI=1S/C23H17ClN2O4/c1-13-6-8-15(24)11-19(13)26-22(28)16-4-2-3-5-17(16)23(26,29)14-7-9-20-18(10-14)25-21(27)12-30-20/h2-11,29H,12H2,1H3,(H,25,27)