4-[[3-nitro-4,5-bis(oxidanyl)phenyl]methyl]heptane-3,5-dione

Systemtic Name: 4-[[3-nitro-4,5-bis(oxidanyl)phenyl]methyl]heptane-3,5-dione Openeye Name: 4-[(3,4-dihydroxy-5-nitro-phenyl)methyl]heptane-3,5-dione CAS Name: 4-[(3,4-dihydroxy-5-nitrophenyl)methyl]heptane-3,5-dione IUPAC Name: 4-[(3,4-dihydroxy-5-nitrophenyl)methyl]heptane-3,5-dione Traditional Name: 4-(3,4-dihydroxy-5-nitro-benzyl)heptane-3,5-dione Formula: C14H17NO6 MolecularWeight: 295.28788

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C(=O)CC

Isomeric SMILES

CCC(=O)C(CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C(=O)CC

InChI

InChI=1S/C14H17NO6/c1-3-11(16)9(12(17)4-2)5-8-6-10(15(20)21)14(19)13(18)7-8/h6-7,9,18-19H,3-5H2,1-2H3