2-[(3,5-dinitrophenyl)carbonylamino]hexanoic acid

Systemtic Name: 2-[(3,5-dinitrophenyl)carbonylamino]hexanoic acid Openeye Name: 2-[(3,5-dinitrobenzoyl)amino]hexanoic acid CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[(3,5-dinitrobenzoyl)amino]hexanoic acid Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]hexanoic acid Formula: C13H15N3O7 MolecularWeight: 325.2741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O7/c1-2-3-4-11(13(18)19)14-12(17)8-5-9(15(20)21)7-10(6-8)16(22)23/h5-7,11H,2-4H2,1H3,(H,14,17)(H,18,19)