5-nitro-2-[[(4-nitrophenyl)amino]methyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[[(4-nitrophenyl)amino]methyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[(4-nitroanilino)methyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[(4-nitroanilino)methyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[(4-nitroanilino)methyl]isoindole-1,3-dione Traditional Name: 5-nitro-2-[(4-nitroanilino)methyl]isoindoline-1,3-quinone Formula: C15H10N4O6 MolecularWeight: 342.2631

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H10N4O6/c20-14-12-6-5-11(19(24)25)7-13(12)15(21)17(14)8-16-9-1-3-10(4-2-9)18(22)23/h1-7,16H,8H2