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

Systemtic Name: 5-nitro-2-[(4-oxidanylidene-3,1-benzoxazin-2-yl)methyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[(4-oxo-3,1-benzoxazin-2-yl)methyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[(4-oxo-3,1-benzoxazin-2-yl)methyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[(4-oxo-3,1-benzoxazin-2-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(4-keto-3,1-benzoxazin-2-yl)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C17H9N3O6 MolecularWeight: 351.26986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H9N3O6/c21-15-10-6-5-9(20(24)25)7-12(10)16(22)19(15)8-14-18-13-4-2-1-3-11(13)17(23)26-14/h1-7H,8H2