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

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-3-5-10(13(17)18)14-12(16)9-6-4-7-11(8(9)2)15(19)20/h4,6-7,10H,3,5H2,1-2H3,(H,14,16)(H,17,18)