2-[(2,4-dinitrophenyl)amino]-2,4-dimethyl-pentanoic acid

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]-2,4-dimethyl-pentanoic acid Openeye Name: 2-(2,4-dinitroanilino)-2,4-dimethyl-pentanoic acid CAS Name: 2-(2,4-dinitroanilino)-2,4-dimethylpentanoic acid IUPAC Name: 2-(2,4-dinitroanilino)-2,4-dimethylpentanoic acid Traditional Name: 2-(2,4-dinitroanilino)-2,4-dimethyl-valeric acid Formula: C13H17N3O6 MolecularWeight: 311.29058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C)(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O6/c1-8(2)7-13(3,12(17)18)14-10-5-4-9(15(19)20)6-11(10)16(21)22/h4-6,8,14H,7H2,1-3H3,(H,17,18)