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

Systemtic Name: 2-[[4-[(2-chlorophenyl)amino]-3,5-dinitro-phenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[4-(2-chloroanilino)-3,5-dinitro-benzoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[4-(2-chloroanilino)-3,5-dinitrophenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-(2-chloroanilino)-3,5-dinitrobenzoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[4-(2-chloroanilino)-3,5-dinitro-benzoyl]amino]-3-methyl-butyric acid Formula: C18H17ClN4O7 MolecularWeight: 436.80318

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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-])NC2=CC=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NC2=CC=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O7/c1-9(2)15(18(25)26)21-17(24)10-7-13(22(27)28)16(14(8-10)23(29)30)20-12-6-4-3-5-11(12)19/h3-9,15,20H,1-2H3,(H,21,24)(H,25,26)