phenyl (1S,2S)-1-methyl-2-(nitromethyl)-2-(trifluoromethyl)cyclopropane-1-carboxylate

Systemtic Name: phenyl (1S,2S)-1-methyl-2-(nitromethyl)-2-(trifluoromethyl)cyclopropane-1-carboxylate Openeye Name: phenyl (1S,2S)-1-methyl-2-(nitromethyl)-2-(trifluoromethyl)cyclopropanecarboxylate CAS Name: (1S,2S)-1-methyl-2-(nitromethyl)-2-(trifluoromethyl)-1-cyclopropanecarboxylic acid phenyl ester IUPAC Name: phenyl (1S,2S)-1-methyl-2-(nitromethyl)-2-(trifluoromethyl)cyclopropane-1-carboxylate Traditional Name: (1S,2S)-1-methyl-2-(nitromethyl)-2-(trifluoromethyl)cyclopropanecarboxylic acid phenyl ester Formula: C13H12F3NO4 MolecularWeight: 303.23389

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1(C[N+](=O)[O-])C(F)(F)F)C(=O)OC2=CC=CC=C2

Isomeric SMILES

C[C@@]1(C[C@]1(C[N+](=O)[O-])C(F)(F)F)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C13H12F3NO4/c1-11(10(18)21-9-5-3-2-4-6-9)7-12(11,8-17(19)20)13(14,15)16/h2-6H,7-8H2,1H3/t11-,12-/m1/s1