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

Systemtic Name: 2-(5-methoxy-2-nitro-phenyl)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione Openeye Name: 2-(5-methoxy-2-nitro-phenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindoline-1,3-dione CAS Name: 2-(5-methoxy-2-nitrophenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione IUPAC Name: 2-(5-methoxy-2-nitrophenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione Traditional Name: 5-(4-keto-3,1-benzoxazin-2-yl)-2-(5-methoxy-2-nitro-phenyl)isoindoline-1,3-quinone Formula: C23H13N3O7 MolecularWeight: 443.36522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4

Isomeric SMILES

COC1=CC(=C(C=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C23H13N3O7/c1-32-13-7-9-18(26(30)31)19(11-13)25-21(27)14-8-6-12(10-16(14)22(25)28)20-24-17-5-3-2-4-15(17)23(29)33-20/h2-11H,1H3