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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C1=C(C(=CC=C1)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C1=C(C(=CC=C1)C)[N+](=O)[O-]

InChI

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