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

Systemtic Name: 2-[[4-[(4-methoxyphenyl)amino]-3,5-dinitro-phenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[4-(4-methoxyanilino)-3,5-dinitro-benzoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[4-(4-methoxyanilino)-3,5-dinitrophenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-(4-methoxyanilino)-3,5-dinitrobenzoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[3,5-dinitro-4-(p-anisidino)benzoyl]amino]-3-methyl-butyric acid Formula: C19H20N4O8 MolecularWeight: 432.3841

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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=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O8/c1-10(2)16(19(25)26)21-18(24)11-8-14(22(27)28)17(15(9-11)23(29)30)20-12-4-6-13(31-3)7-5-12/h4-10,16,20H,1-3H3,(H,21,24)(H,25,26)