2-[(2,4-dinitrophenyl)amino]-2-methyl-pentanedioic acid

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]-2-methyl-pentanedioic acid Openeye Name: 2-(2,4-dinitroanilino)-2-methyl-pentanedioic acid CAS Name: 2-(2,4-dinitroanilino)-2-methylpentanedioic acid IUPAC Name: 2-(2,4-dinitroanilino)-2-methylpentanedioic acid Traditional Name: 2-(2,4-dinitroanilino)-2-methyl-glutaric acid Formula: C12H13N3O8 MolecularWeight: 327.24692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O8/c1-12(11(18)19,5-4-10(16)17)13-8-3-2-7(14(20)21)6-9(8)15(22)23/h2-3,6,13H,4-5H2,1H3,(H,16,17)(H,18,19)