Molecule ID: 5460062

IUPAC Name: 3-(3,4-dichloroanilino)-3-oxopropanoate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of N-(3,4-dichlorophenyl)malonamic acid arising from deprotonation of the carboxy group. It derives from a malonamate. It is a conjugate base of a N-(3,4-dichlorophenyl)malonamic acid.

SMILES: O=C(O)CC([O-])=Nc1ccc(Cl)c(Cl)c1

SELFIES: [O][=C][Branch1][C][O][C][C][Branch1][C][O-1][=N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]

InChI: InChI=1S/C9H7Cl2NO3/c10-6-2-1-5(3-7(6)11)12-8(13)4-9(14)15/h1-3H,4H2,(H,12,13)(H,14,15)/p-1

Molecular Properties:
- Polar Surface Area: 69.2 Ų
- LogP: 3.5