3-[(2-methyl-5-nitro-phenyl)amino]propanoic acid

Systemtic Name: 3-[(2-methyl-5-nitro-phenyl)amino]propanoic acid Openeye Name: 3-(2-methyl-5-nitro-anilino)propanoic acid CAS Name: 3-(2-methyl-5-nitroanilino)propanoic acid IUPAC Name: 3-(2-methyl-5-nitroanilino)propanoic acid Traditional Name: 3-(2-methyl-5-nitro-anilino)propionic acid Formula: C10H12N2O4 MolecularWeight: 224.21328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NCCC(=O)O

InChI

InChI=1S/C10H12N2O4/c1-7-2-3-8(12(15)16)6-9(7)11-5-4-10(13)14/h2-3,6,11H,4-5H2,1H3,(H,13,14)