5-nitro-2-[[(5-nitro-2-oxidanyl-phenyl)amino]methyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[[(5-nitro-2-oxidanyl-phenyl)amino]methyl]isoindole-1,3-dione Openeye Name: 2-[(2-hydroxy-5-nitro-anilino)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(2-hydroxy-5-nitroanilino)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(2-hydroxy-5-nitroanilino)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(2-hydroxy-5-nitro-anilino)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C15H10N4O7 MolecularWeight: 358.2625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CNC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CNC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C15H10N4O7/c20-13-4-2-9(19(25)26)6-12(13)16-7-17-14(21)10-3-1-8(18(23)24)5-11(10)15(17)22/h1-6,16,20H,7H2