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

Systemtic Name: 3-methyl-2-[[4-[(4-methylphenyl)amino]-3,5-dinitro-phenyl]carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[[4-(4-methylanilino)-3,5-dinitro-benzoyl]amino]butanoic acid CAS Name: 3-methyl-2-[[[4-(4-methylanilino)-3,5-dinitrophenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[4-(4-methylanilino)-3,5-dinitrobenzoyl]amino]butanoic acid Traditional Name: 2-[[3,5-dinitro-4-(p-toluidino)benzoyl]amino]-3-methyl-butyric acid Formula: C19H20N4O7 MolecularWeight: 416.3847

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC(C(C)C)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC(C(C)C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O7/c1-10(2)16(19(25)26)21-18(24)12-8-14(22(27)28)17(15(9-12)23(29)30)20-13-6-4-11(3)5-7-13/h4-10,16,20H,1-3H3,(H,21,24)(H,25,26)