3-[[3-nitro-4,5-bis(oxidanyl)phenyl]methylidene]pentane-2,4-dione

Systemtic Name: 3-[[3-nitro-4,5-bis(oxidanyl)phenyl]methylidene]pentane-2,4-dione Openeye Name: 3-[(3,4-dihydroxy-5-nitro-phenyl)methylene]pentane-2,4-dione CAS Name: 3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione IUPAC Name: 3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione Traditional Name: 3-(3,4-dihydroxy-5-nitro-benzylidene)pentane-2,4-dione Formula: C12H11NO6 MolecularWeight: 270.182114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[13CH3][13C](=O)[13C](=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])[13C](=O)[13CH3]

InChI

InChI=1S/C12H11NO6/c1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h3-5,16-17H,1-2H3/i1+1,2+1,6+1,7+1,9+1