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

Systemtic Name: 6-[[3,5-dinitro-4-(propan-2-ylamino)phenyl]carbonylamino]hexanoic acid Openeye Name: 6-[[4-(isopropylamino)-3,5-dinitro-benzoyl]amino]hexanoic acid CAS Name: 6-[[[3,5-dinitro-4-(propan-2-ylamino)phenyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[3,5-dinitro-4-(propan-2-ylamino)benzoyl]amino]hexanoic acid Traditional Name: 6-[[4-(isopropylamino)-3,5-dinitro-benzoyl]amino]hexanoic acid Formula: C16H22N4O7 MolecularWeight: 382.36848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NCCCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NCCCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O7/c1-10(2)18-15-12(19(24)25)8-11(9-13(15)20(26)27)16(23)17-7-5-3-4-6-14(21)22/h8-10,18H,3-7H2,1-2H3,(H,17,23)(H,21,22)