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

Systemtic Name: 5-nitro-2-[2-(4-oxidanylidene-3,1-benzoxazin-2-yl)ethyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[2-(4-oxo-3,1-benzoxazin-2-yl)ethyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[2-(4-oxo-3,1-benzoxazin-2-yl)ethyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[2-(4-oxo-3,1-benzoxazin-2-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(4-keto-3,1-benzoxazin-2-yl)ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C18H11N3O6 MolecularWeight: 365.29644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC(=N2)CCN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC(=N2)CCN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H11N3O6/c22-16-11-6-5-10(21(25)26)9-13(11)17(23)20(16)8-7-15-19-14-4-2-1-3-12(14)18(24)27-15/h1-6,9H,7-8H2