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

Systemtic Name: 6-[2-(3-azanyl-5-chloranyl-phenyl)-1-oxidanyl-3-oxidanylidene-isoindol-1-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(3-amino-5-chloro-phenyl)-1-hydroxy-3-oxo-isoindolin-1-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(3-amino-5-chlorophenyl)-1-hydroxy-3-oxo-1-isoindolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(3-amino-5-chlorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(3-amino-5-chloro-phenyl)-1-hydroxy-3-keto-isoindolin-1-yl]-4H-1,4-benzoxazin-3-one Formula: C22H16ClN3O4 MolecularWeight: 421.83314

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C3(C4=CC=CC=C4C(=O)N3C5=CC(=CC(=C5)Cl)N)O

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C3(C4=CC=CC=C4C(=O)N3C5=CC(=CC(=C5)Cl)N)O

InChI

InChI=1S/C22H16ClN3O4/c23-13-8-14(24)10-15(9-13)26-21(28)16-3-1-2-4-17(16)22(26,29)12-5-6-19-18(7-12)25-20(27)11-30-19/h1-10,29H,11,24H2,(H,25,27)