6-(aminocarbonylamino)-2-[(2,4-dinitrophenyl)amino]hexanoic acid

Systemtic Name: 6-(aminocarbonylamino)-2-[(2,4-dinitrophenyl)amino]hexanoic acid Openeye Name: 2-(2,4-dinitroanilino)-6-ureido-hexanoic acid CAS Name: 6-(carbamoylamino)-2-(2,4-dinitroanilino)hexanoic acid IUPAC Name: 6-(carbamoylamino)-2-(2,4-dinitroanilino)hexanoic acid Traditional Name: 2-(2,4-dinitroanilino)-6-ureido-hexanoic acid Formula: C13H17N5O7 MolecularWeight: 355.30338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O7/c14-13(21)15-6-2-1-3-10(12(19)20)16-9-5-4-8(17(22)23)7-11(9)18(24)25/h4-5,7,10,16H,1-3,6H2,(H,19,20)(H3,14,15,21)