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

Systemtic Name: 6-[[4-[(4-methylphenyl)amino]-3,5-dinitro-phenyl]carbonylamino]hexanoic acid Openeye Name: 6-[[4-(4-methylanilino)-3,5-dinitro-benzoyl]amino]hexanoic acid CAS Name: 6-[[[4-(4-methylanilino)-3,5-dinitrophenyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[4-(4-methylanilino)-3,5-dinitrobenzoyl]amino]hexanoic acid Traditional Name: 6-[[3,5-dinitro-4-(p-toluidino)benzoyl]amino]hexanoic acid Formula: C20H22N4O7 MolecularWeight: 430.41128

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O7/c1-13-6-8-15(9-7-13)22-19-16(23(28)29)11-14(12-17(19)24(30)31)20(27)21-10-4-2-3-5-18(25)26/h6-9,11-12,22H,2-5,10H2,1H3,(H,21,27)(H,25,26)