6-nitro-2-[4-(4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-nitro-2-[4-(4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 6-nitro-2-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzo[de]isoquinoline-1,3-dione CAS Name: 6-nitro-2-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 6-nitro-2-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-(4-keto-3,1-benzoxazin-2-yl)phenyl]-6-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C26H13N3O6 MolecularWeight: 463.39792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=C(C=C3)N4C(=O)C5=C6C(=C(C=C5)[N+](=O)[O-])C=CC=C6C4=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=C(C=C3)N4C(=O)C5=C6C(=C(C=C5)[N+](=O)[O-])C=CC=C6C4=O

InChI

InChI=1S/C26H13N3O6/c30-24-18-6-3-5-17-21(29(33)34)13-12-19(22(17)18)25(31)28(24)15-10-8-14(9-11-15)23-27-20-7-2-1-4-16(20)26(32)35-23/h1-13H