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

Systemtic Name: 2-[(4-methyl-3-nitro-phenyl)carbonylamino]pentanoic acid Openeye Name: 2-[(4-methyl-3-nitro-benzoyl)amino]pentanoic acid CAS Name: 2-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]pentanoic acid IUPAC Name: 2-[(4-methyl-3-nitrobenzoyl)amino]pentanoic acid Traditional Name: 2-[(4-methyl-3-nitro-benzoyl)amino]valeric acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-3-4-10(13(17)18)14-12(16)9-6-5-8(2)11(7-9)15(19)20/h5-7,10H,3-4H2,1-2H3,(H,14,16)(H,17,18)