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

Systemtic Name: 2-[[4-[(2,4-dimethylphenyl)amino]-3,5-dinitro-phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-(2,4-dimethylanilino)-3,5-dinitro-benzoyl]amino]acetic acid CAS Name: 2-[[[4-(2,4-dimethylanilino)-3,5-dinitrophenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-(2,4-dimethylanilino)-3,5-dinitrobenzoyl]amino]acetic acid Traditional Name: 2-[[4-(2,4-dimethylanilino)-3,5-dinitro-benzoyl]amino]acetic acid Formula: C17H16N4O7 MolecularWeight: 388.33154

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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)NCC(=O)O)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O7/c1-9-3-4-12(10(2)5-9)19-16-13(20(25)26)6-11(7-14(16)21(27)28)17(24)18-8-15(22)23/h3-7,19H,8H2,1-2H3,(H,18,24)(H,22,23)