5-nitro-2-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C18H11N3O7 MolecularWeight: 381.29584

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H11N3O7/c22-14(9-1-4-15-13(5-9)19-16(23)8-28-15)7-20-17(24)11-3-2-10(21(26)27)6-12(11)18(20)25/h1-6H,7-8H2,(H,19,23)