(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-[2-nitro-4-(trifluoromethyl)phenyl]azanium

Systemtic Name: (3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-[2-nitro-4-(trifluoromethyl)phenyl]azanium Openeye Name: (1-carboxy-2-methyl-propyl)-[2-nitro-4-(trifluoromethyl)phenyl]ammonium CAS Name: (1-hydroxy-3-methyl-1-oxobutan-2-yl)-[2-nitro-4-(trifluoromethyl)phenyl]ammonium IUPAC Name: (1-hydroxy-3-methyl-1-oxobutan-2-yl)-[2-nitro-4-(trifluoromethyl)phenyl]azanium Traditional Name: (1-carboxy-2-methyl-propyl)-[2-nitro-4-(trifluoromethyl)phenyl]ammonium Formula: C12H14F3N2O4+ MolecularWeight: 307.24577

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)[NH2+]C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)O)[NH2+]C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H13F3N2O4/c1-6(2)10(11(18)19)16-8-4-3-7(12(13,14)15)5-9(8)17(20)21/h3-6,10,16H,1-2H3,(H,18,19)/p+1