Molecule ID: 70678826

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

Description: The molecule is an oxo dicarboxylic acid that is 6-oxohepta-2,4-dienedioic acid substituted at position 4 by a nitro group. It is a C-nitro compound, an oxo dicarboxylic acid and a ketone. It is a conjugate acid of a 4-nitro-6-oxohepta-2,4-dienedioate.

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

SELFIES: [O][=C][Branch1][C][O][/C][=C][/C][=Branch1][O][=C][\C][=Branch1][C][=O][C][=Branch1][C][=O][O][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)/b2-1+,4-3+

Molecular Properties:
- Polar Surface Area: 138.0 Ų
- LogP: -0.3