Molecule ID: 124202058

IUPAC Name: (2E,4E)-4-nitro-6-oxohepta-2,4-dienedioate

Description: The molecule is a dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of 4-nitro-6-oxohepta-2,4-dienedioic acid; major species at pH 7.3. It is a conjugate base of a 4-nitro-6-oxohepta-2,4-dienedioic acid.

SMILES: O=C([O-])/C=C/C(=C\C(=O)C(=O)[O-])[N+](=O)[O-]

SELFIES: [O][=C][Branch1][C][O-1][/C][=C][/C][=Branch1][O][=C][\C][=Branch1][C][=O][C][=Branch1][C][=O][O-1][N+1][=Branch1][C][=O][O-1]

InChI: InChI=1S/C7H5NO7/c9-5(7(12)13)3-4(8(14)15)1-2-6(10)11/h1-3H,(H,10,11)(H,12,13)/p-2/b2-1+,4-3+

Molecular Properties:
- Polar Surface Area: 143.0 Ų
- LogP: 1.0