2-(2-chloranyl-4-nitro-phenyl)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione

Systemtic Name: 2-(2-chloranyl-4-nitro-phenyl)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione Openeye Name: 2-(2-chloro-4-nitro-phenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindoline-1,3-dione CAS Name: 2-(2-chloro-4-nitrophenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione IUPAC Name: 2-(2-chloro-4-nitrophenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione Traditional Name: 2-(2-chloro-4-nitro-phenyl)-5-(4-keto-3,1-benzoxazin-2-yl)isoindoline-1,3-quinone Formula: C22H10ClN3O6 MolecularWeight: 447.7843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=C(C=C(C=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=C(C=C(C=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H10ClN3O6/c23-16-10-12(26(30)31)6-8-18(16)25-20(27)13-7-5-11(9-15(13)21(25)28)19-24-17-4-2-1-3-14(17)22(29)32-19/h1-10H