2-[(3-methyl-4-nitro-phenyl)carbonylamino]hexanoic acid

Systemtic Name: 2-[(3-methyl-4-nitro-phenyl)carbonylamino]hexanoic acid Openeye Name: 2-[(3-methyl-4-nitro-benzoyl)amino]hexanoic acid CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[(3-methyl-4-nitrobenzoyl)amino]hexanoic acid Traditional Name: 2-[(3-methyl-4-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=CC(=C(C=C1)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-3-4-5-11(14(18)19)15-13(17)10-6-7-12(16(20)21)9(2)8-10/h6-8,11H,3-5H2,1-2H3,(H,15,17)(H,18,19)