2-[[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-methyl-amino]ethanoic acid Openeye Name: 2-[[2,6-dinitro-4-(trifluoromethyl)anilino]-methyl-amino]acetic acid CAS Name: 2-[[2,6-dinitro-4-(trifluoromethyl)anilino]-methylamino]acetic acid IUPAC Name: 2-[[2,6-dinitro-4-(trifluoromethyl)anilino]-methylamino]acetic acid Traditional Name: 2-[[2,6-dinitro-4-(trifluoromethyl)anilino]-methyl-amino]acetic acid Formula: C10H9F3N4O6 MolecularWeight: 338.19687

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)O)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C10H9F3N4O6/c1-15(4-8(18)19)14-9-6(16(20)21)2-5(10(11,12)13)3-7(9)17(22)23/h2-3,14H,4H2,1H3,(H,18,19)