Molecule ID: 9543224

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

Description: The molecule is an amino dicarboxylic acid that is 4-aminohepta-2,4-dienoic acid which is substituted at position 6 by an oxo group [the (2Z,4E) isomer]. It is an amino dicarboxylic acid, an enamine and an oxo dicarboxylic acid. It is a conjugate acid of a (2Z,4E)-4-amino-6-oxohepta-2,4-dienedioate.

SMILES: NC(/C=C\C(=O)O)=C/C(=O)C(=O)O

SELFIES: [N][C][Branch1][Branch2][/C][=C][\C][=Branch1][C][=O][O][=C][/C][=Branch1][C][=O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H7NO5/c8-4(1-2-6(10)11)3-5(9)7(12)13/h1-3H,8H2,(H,10,11)(H,12,13)/b2-1-,4-3+

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: -0.3