4-[methyl-(2-methyl-6-nitro-phenyl)carbonyl-amino]butanoic acid

Systemtic Name: 4-[methyl-(2-methyl-6-nitro-phenyl)carbonyl-amino]butanoic acid Openeye Name: 4-[methyl-(2-methyl-6-nitro-benzoyl)amino]butanoic acid CAS Name: 4-[methyl-[(2-methyl-6-nitrophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[methyl-(2-methyl-6-nitrobenzoyl)amino]butanoic acid Traditional Name: 4-[methyl-(2-methyl-6-nitro-benzoyl)amino]butyric acid Formula: C13H16N2O5 MolecularWeight: 280.27654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-9-5-3-6-10(15(19)20)12(9)13(18)14(2)8-4-7-11(16)17/h3,5-6H,4,7-8H2,1-2H3,(H,16,17)