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

Systemtic Name: 2-[[3,5-dinitro-4-(propan-2-ylamino)phenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[4-(isopropylamino)-3,5-dinitro-benzoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[3,5-dinitro-4-(propan-2-ylamino)phenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[3,5-dinitro-4-(propan-2-ylamino)benzoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[4-(isopropylamino)-3,5-dinitro-benzoyl]amino]-3-methyl-butyric acid Formula: C15H20N4O7 MolecularWeight: 368.3419

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O7/c1-7(2)12(15(21)22)17-14(20)9-5-10(18(23)24)13(16-8(3)4)11(6-9)19(25)26/h5-8,12,16H,1-4H3,(H,17,20)(H,21,22)