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

Systemtic Name: 2-[[4-[(2,4-dimethylphenyl)amino]-3,5-dinitro-phenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[4-(2,4-dimethylanilino)-3,5-dinitro-benzoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[4-(2,4-dimethylanilino)-3,5-dinitrophenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-(2,4-dimethylanilino)-3,5-dinitrobenzoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[4-(2,4-dimethylanilino)-3,5-dinitro-benzoyl]amino]-3-methyl-butyric acid Formula: C20H22N4O7 MolecularWeight: 430.41128

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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-])C

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-])C

InChI

InChI=1S/C20H22N4O7/c1-10(2)17(20(26)27)22-19(25)13-8-15(23(28)29)18(16(9-13)24(30)31)21-14-6-5-11(3)7-12(14)4/h5-10,17,21H,1-4H3,(H,22,25)(H,26,27)