2-[(6,7-dimethoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(6,7-dimethoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(4-keto-6,7-dimethoxy-3,1-benzoxazin-2-yl)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C19H13N3O8 MolecularWeight: 411.32182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)OC(=N2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)OC(=N2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C19H13N3O8/c1-28-14-6-12-13(7-15(14)29-2)20-16(30-19(12)25)8-21-17(23)10-4-3-9(22(26)27)5-11(10)18(21)24/h3-7H,8H2,1-2H3