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

Systemtic Name: (2R)-2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-3-methyl-butanoate Openeye Name: (2R)-2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-methyl-butanoate CAS Name: (2R)-2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-methylbutanoate IUPAC Name: (2R)-2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-methylbutanoate Traditional Name: (2R)-2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-methyl-butyrate Formula: C12H11F3N3O6- MolecularWeight: 350.22745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3N3O6/c1-5(2)9(11(19)20)16-10-7(17(21)22)3-6(12(13,14)15)4-8(10)18(23)24/h3-5,9,16H,1-2H3,(H,19,20)/p-1/t9-/m1/s1