2-[(2,4-dinitrophenyl)amino]hexanedioic acid

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]hexanedioic acid Openeye Name: 2-(2,4-dinitroanilino)hexanedioic acid CAS Name: 2-(2,4-dinitroanilino)hexanedioic acid IUPAC Name: 2-(2,4-dinitroanilino)hexanedioic acid Traditional Name: 2-(2,4-dinitroanilino)adipic acid Formula: C12H13N3O8 MolecularWeight: 327.24692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O8/c16-11(17)3-1-2-9(12(18)19)13-8-5-4-7(14(20)21)6-10(8)15(22)23/h4-6,9,13H,1-3H2,(H,16,17)(H,18,19)