2-(2-methyl-4-oxidanyl-phenyl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(2-methyl-4-oxidanyl-phenyl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(4-hydroxy-2-methyl-phenyl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(4-hydroxy-2-methylphenyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(4-hydroxy-2-methylphenyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(4-hydroxy-2-methyl-phenyl)-5-nitro-isoindoline-1,3-quinone Formula: C15H10N2O5 MolecularWeight: 298.2503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)O)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O5/c1-8-6-10(18)3-5-13(8)16-14(19)11-4-2-9(17(21)22)7-12(11)15(16)20/h2-7,18H,1H3