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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O7/c1-6(2)10(12(17)18)13-11(16)7-3-8(14(19)20)5-9(4-7)15(21)22/h3-6,10H,1-2H3,(H,13,16)(H,17,18)