2-(5-nitro-2-oxidanyl-phenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-(5-nitro-2-oxidanyl-phenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-(2-hydroxy-5-nitro-phenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-(2-hydroxy-5-nitrophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-(2-hydroxy-5-nitrophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-(2-hydroxy-5-nitro-phenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C14H14N2O5 MolecularWeight: 290.27136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)C3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CCC2C(C1)C(=O)N(C2=O)C3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C14H14N2O5/c17-12-6-5-8(16(20)21)7-11(12)15-13(18)9-3-1-2-4-10(9)14(15)19/h5-7,9-10,17H,1-4H2