3-[(3-methyl-2,4-dinitro-phenyl)amino]propanoic acid

Systemtic Name: 3-[(3-methyl-2,4-dinitro-phenyl)amino]propanoic acid Openeye Name: 3-(3-methyl-2,4-dinitro-anilino)propanoic acid CAS Name: 3-(3-methyl-2,4-dinitroanilino)propanoic acid IUPAC Name: 3-(3-methyl-2,4-dinitroanilino)propanoic acid Traditional Name: 3-(3-methyl-2,4-dinitro-anilino)propionic acid Formula: C10H11N3O6 MolecularWeight: 269.21084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3O6/c1-6-8(12(16)17)3-2-7(10(6)13(18)19)11-5-4-9(14)15/h2-3,11H,4-5H2,1H3,(H,14,15)