6-[[4-[(2,4-dimethylphenyl)amino]-3,5-dinitro-phenyl]carbonylamino]hexanoic acid

Systemtic Name: 6-[[4-[(2,4-dimethylphenyl)amino]-3,5-dinitro-phenyl]carbonylamino]hexanoic acid Openeye Name: 6-[[4-(2,4-dimethylanilino)-3,5-dinitro-benzoyl]amino]hexanoic acid CAS Name: 6-[[[4-(2,4-dimethylanilino)-3,5-dinitrophenyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[4-(2,4-dimethylanilino)-3,5-dinitrobenzoyl]amino]hexanoic acid Traditional Name: 6-[[4-(2,4-dimethylanilino)-3,5-dinitro-benzoyl]amino]hexanoic acid Formula: C21H24N4O7 MolecularWeight: 444.43786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NCCCCCC(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NCCCCCC(=O)O)[N+](=O)[O-])C

InChI

InChI=1S/C21H24N4O7/c1-13-7-8-16(14(2)10-13)23-20-17(24(29)30)11-15(12-18(20)25(31)32)21(28)22-9-5-3-4-6-19(26)27/h7-8,10-12,23H,3-6,9H2,1-2H3,(H,22,28)(H,26,27)