(3-phenoxyphenyl)methyl 1-cyano-2,2-dimethyl-3-[tris(bromanyl)methyl]cyclopropane-1-carboxylate

Systemtic Name: (3-phenoxyphenyl)methyl 1-cyano-2,2-dimethyl-3-[tris(bromanyl)methyl]cyclopropane-1-carboxylate Openeye Name: (3-phenoxyphenyl)methyl 1-cyano-2,2-dimethyl-3-(tribromomethyl)cyclopropanecarboxylate CAS Name: 1-cyano-2,2-dimethyl-3-(tribromomethyl)-1-cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 1-cyano-2,2-dimethyl-3-(tribromomethyl)cyclopropane-1-carboxylate Traditional Name: 1-cyano-2,2-dimethyl-3-(tribromomethyl)cyclopropanecarboxylic acid (3-phenoxybenzyl) ester Formula: C21H18Br3NO3 MolecularWeight: 572.08452

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1(C#N)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C(Br)(Br)Br)C

Isomeric SMILES

CC1(C(C1(C#N)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C(Br)(Br)Br)C

InChI

InChI=1S/C21H18Br3NO3/c1-19(2)17(21(22,23)24)20(19,13-25)18(26)27-12-14-7-6-10-16(11-14)28-15-8-4-3-5-9-15/h3-11,17H,12H2,1-2H3