6-[(3,5-dinitro-4-phenylazanyl-phenyl)carbonylamino]hexanoic acid

Systemtic Name: 6-[(3,5-dinitro-4-phenylazanyl-phenyl)carbonylamino]hexanoic acid Openeye Name: 6-[(4-anilino-3,5-dinitro-benzoyl)amino]hexanoic acid CAS Name: 6-[[(4-anilino-3,5-dinitrophenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(4-anilino-3,5-dinitrobenzoyl)amino]hexanoic acid Traditional Name: 6-[(4-anilino-3,5-dinitro-benzoyl)amino]hexanoic acid Formula: C19H20N4O7 MolecularWeight: 416.3847

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NCCCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NCCCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O7/c24-17(25)9-5-2-6-10-20-19(26)13-11-15(22(27)28)18(16(12-13)23(29)30)21-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,21H,2,5-6,9-10H2,(H,20,26)(H,24,25)