2-[(3,5-dinitrophenyl)carbonyl-methyl-amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[(3,5-dinitrophenyl)carbonyl-methyl-amino]-4-methyl-pentanoic acid Openeye Name: 2-[(3,5-dinitrobenzoyl)-methyl-amino]-4-methyl-pentanoic acid CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]-methylamino]-4-methylpentanoic acid IUPAC Name: 2-[(3,5-dinitrobenzoyl)-methylamino]-4-methylpentanoic acid Traditional Name: 2-[(3,5-dinitrobenzoyl)-methyl-amino]-4-methyl-valeric acid Formula: C14H17N3O7 MolecularWeight: 339.30068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O7/c1-8(2)4-12(14(19)20)15(3)13(18)9-5-10(16(21)22)7-11(6-9)17(23)24/h5-8,12H,4H2,1-3H3,(H,19,20)