2-[(2,4-dinitrophenyl)amino]-6-nitro-5-oxidanyl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]-6-nitro-5-oxidanyl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(2,4-dinitroanilino)-5-hydroxy-6-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(2,4-dinitroanilino)-5-hydroxy-6-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(2,4-dinitroanilino)-5-hydroxy-6-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(2,4-dinitroanilino)-5-hydroxy-6-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C18H9N5O9 MolecularWeight: 439.29216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2[N+](=O)[O-])O)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2[N+](=O)[O-])O)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H9N5O9/c24-14-7-11-15-9(16(14)23(31)32)2-1-3-10(15)17(25)20(18(11)26)19-12-5-4-8(21(27)28)6-13(12)22(29)30/h1-7,19,24H