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

Systemtic Name: 4-[[3,5-dinitro-4-(propan-2-ylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[4-(isopropylamino)-3,5-dinitro-benzoyl]amino]benzoic acid CAS Name: 4-[[[3,5-dinitro-4-(propan-2-ylamino)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3,5-dinitro-4-(propan-2-ylamino)benzoyl]amino]benzoic acid Traditional Name: 4-[[4-(isopropylamino)-3,5-dinitro-benzoyl]amino]benzoic acid Formula: C17H16N4O7 MolecularWeight: 388.33154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O7/c1-9(2)18-15-13(20(25)26)7-11(8-14(15)21(27)28)16(22)19-12-5-3-10(4-6-12)17(23)24/h3-9,18H,1-2H3,(H,19,22)(H,23,24)