5-[(3,5-dimethyl-4-nitro-phenyl)carbonylamino]pentanoic acid

Systemtic Name: 5-[(3,5-dimethyl-4-nitro-phenyl)carbonylamino]pentanoic acid Openeye Name: 5-[(3,5-dimethyl-4-nitro-benzoyl)amino]pentanoic acid CAS Name: 5-[[(3,5-dimethyl-4-nitrophenyl)-oxomethyl]amino]pentanoic acid IUPAC Name: 5-[(3,5-dimethyl-4-nitrobenzoyl)amino]pentanoic acid Traditional Name: 5-[(3,5-dimethyl-4-nitro-benzoyl)amino]valeric acid Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-9-7-11(8-10(2)13(9)16(20)21)14(19)15-6-4-3-5-12(17)18/h7-8H,3-6H2,1-2H3,(H,15,19)(H,17,18)