6-[(2-methyl-3-nitro-phenyl)carbonylamino]hexanoic acid

Systemtic Name: 6-[(2-methyl-3-nitro-phenyl)carbonylamino]hexanoic acid Openeye Name: 6-[(2-methyl-3-nitro-benzoyl)amino]hexanoic acid CAS Name: 6-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(2-methyl-3-nitrobenzoyl)amino]hexanoic acid Traditional Name: 6-[(2-methyl-3-nitro-benzoyl)amino]hexanoic acid Formula: C14H18N2O5 MolecularWeight: 294.30312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-10-11(6-5-7-12(10)16(20)21)14(19)15-9-4-2-3-8-13(17)18/h5-7H,2-4,8-9H2,1H3,(H,15,19)(H,17,18)