2-[4-(7-chloranyl-4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[4-(7-chloranyl-4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[4-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[4-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[4-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[4-(7-chloro-4-keto-3,1-benzoxazin-2-yl)phenyl]-5-nitro-isoindoline-1,3-quinone Formula: C22H10ClN3O6 MolecularWeight: 447.7843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(C=CC(=C3)Cl)C(=O)O2)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C=CC(=C3)Cl)C(=O)O2)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

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