3-methyl-5,7-dinitro-8-oxidanyl-3,4-dihydroisochromen-1-one

Systemtic Name: 3-methyl-5,7-dinitro-8-oxidanyl-3,4-dihydroisochromen-1-one Openeye Name: 8-hydroxy-3-methyl-5,7-dinitro-isochroman-1-one CAS Name: 8-hydroxy-3-methyl-5,7-dinitro-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 8-hydroxy-3-methyl-5,7-dinitro-3,4-dihydroisochromen-1-one Traditional Name: 8-hydroxy-3-methyl-5,7-dinitro-isochroman-1-one Formula: C10H8N2O7 MolecularWeight: 268.17972

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])O)C(=O)O1

Isomeric SMILES

CC1CC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])O)C(=O)O1

InChI

InChI=1S/C10H8N2O7/c1-4-2-5-6(11(15)16)3-7(12(17)18)9(13)8(5)10(14)19-4/h3-4,13H,2H2,1H3