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

Systemtic Name: 4-nitro-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]-4-nitro-isoindoline-1,3-quinone Formula: C16H9N5O5 MolecularWeight: 351.27316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9N5O5/c22-14-10-5-3-7-12(21(25)26)13(10)16(24)19(14)8-20-15(23)9-4-1-2-6-11(9)17-18-20/h1-7H,8H2