methyl (2R)-2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2R)-2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-3-methyl-butanoate Openeye Name: methyl (2R)-2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-methyl-butanoate CAS Name: (2R)-2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2R)-2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-methylbutanoate Traditional Name: (2R)-2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-methyl-butyric acid methyl ester Formula: C13H14F3N3O6 MolecularWeight: 365.26197

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14F3N3O6/c1-6(2)10(12(20)25-3)17-11-8(18(21)22)4-7(13(14,15)16)5-9(11)19(23)24/h4-6,10,17H,1-3H3/t10-/m1/s1