(2R)-2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]butanoate

Systemtic Name: (2R)-2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]butanoate Openeye Name: (2R)-2-[2,6-dinitro-4-(trifluoromethyl)anilino]butanoate CAS Name: (2R)-2-[2,6-dinitro-4-(trifluoromethyl)anilino]butanoate IUPAC Name: (2R)-2-[2,6-dinitro-4-(trifluoromethyl)anilino]butanoate Traditional Name: (2R)-2-[2,6-dinitro-4-(trifluoromethyl)anilino]butyrate Formula: C11H9F3N3O6- MolecularWeight: 336.20087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10F3N3O6/c1-2-6(10(18)19)15-9-7(16(20)21)3-5(11(12,13)14)4-8(9)17(22)23/h3-4,6,15H,2H2,1H3,(H,18,19)/p-1/t6-/m1/s1