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

Systemtic Name: 6-[[4-[(2-chlorophenyl)amino]-3,5-dinitro-phenyl]carbonylamino]hexanoic acid Openeye Name: 6-[[4-(2-chloroanilino)-3,5-dinitro-benzoyl]amino]hexanoic acid CAS Name: 6-[[[4-(2-chloroanilino)-3,5-dinitrophenyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[4-(2-chloroanilino)-3,5-dinitrobenzoyl]amino]hexanoic acid Traditional Name: 6-[[4-(2-chloroanilino)-3,5-dinitro-benzoyl]amino]hexanoic acid Formula: C19H19ClN4O7 MolecularWeight: 450.82976

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O7/c20-13-6-3-4-7-14(13)22-18-15(23(28)29)10-12(11-16(18)24(30)31)19(27)21-9-5-1-2-8-17(25)26/h3-4,6-7,10-11,22H,1-2,5,8-9H2,(H,21,27)(H,25,26)