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

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]pentanedioic acid hydrate Openeye Name: 2-(2,4-dinitroanilino)pentanedioic acid hydrate CAS Name: 2-(2,4-dinitroanilino)pentanedioic acid hydrate IUPAC Name: 2-(2,4-dinitroanilino)pentanedioic acid hydrate Traditional Name: 2-(2,4-dinitroanilino)glutaric acid hydrate Formula: C11H13N3O9 MolecularWeight: 331.23562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O8.H2O/c15-10(16)4-3-8(11(17)18)12-7-2-1-6(13(19)20)5-9(7)14(21)22;/h1-2,5,8,12H,3-4H2,(H,15,16)(H,17,18);1H2