Molecule ID: 10176675

IUPAC Name: 3-amino-N-(4-nitrophenyl)propanamide

Description: The molecule is a beta-alanine derivative that is the amide obtained by formal condensation of the carboxy group of beta-alanine with the amino group of 4-nitroaniline. It is a beta-alanine derivative, a monocarboxylic acid amide and a C-nitro compound. It derives from a 4-nitroaniline.

SMILES: NCCC(=O)Nc1ccc([N+](=O)[O-])cc1

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

InChI: InChI=1S/C9H11N3O3/c10-6-5-9(13)11-7-1-3-8(4-2-7)12(14)15/h1-4H,5-6,10H2,(H,11,13)

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 1.2