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

Systemtic Name: 2-[(3,5-dinitrophenyl)carbonylamino]pentanoic acid Openeye Name: 2-[(3,5-dinitrobenzoyl)amino]pentanoic acid CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]pentanoic acid IUPAC Name: 2-[(3,5-dinitrobenzoyl)amino]pentanoic acid Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]valeric acid Formula: C12H13N3O7 MolecularWeight: 311.24752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O7/c1-2-3-10(12(17)18)13-11(16)7-4-8(14(19)20)6-9(5-7)15(21)22/h4-6,10H,2-3H2,1H3,(H,13,16)(H,17,18)