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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O7/c1-3-7(2)11(13(18)19)14-12(17)8-4-9(15(20)21)6-10(5-8)16(22)23/h4-7,11H,3H2,1-2H3,(H,14,17)(H,18,19)