(1R,3S)-3-[3-(cyanomethoxy)-3-oxidanylidene-prop-1-ynyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropane-1-carboxylate

Systemtic Name: (1R,3S)-3-[3-(cyanomethoxy)-3-oxidanylidene-prop-1-ynyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropane-1-carboxylate Openeye Name: (1R,3S)-3-[3-(cyanomethoxy)-3-oxo-prop-1-ynyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropanecarboxylate CAS Name: (1R,3S)-3-[3-(cyanomethoxy)-3-oxoprop-1-ynyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-1-cyclopropanecarboxylate IUPAC Name: (1R,3S)-3-[3-(cyanomethoxy)-3-oxoprop-1-ynyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethylcyclopropane-1-carboxylate Traditional Name: (1R,3S)-3-[3-(cyanomethoxy)-3-keto-prop-1-ynyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropanecarboxylate Formula: C25H19N2O5- MolecularWeight: 427.42876

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)[O-])C#CC(=O)OCC#N)C

Isomeric SMILES

CC1([C@@H]([C@]1(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)[O-])C#CC(=O)OCC#N)C

InChI

InChI=1S/C25H20N2O5/c1-24(2)21(11-12-22(28)31-14-13-26)25(24,23(29)30)20(16-27)17-7-6-10-19(15-17)32-18-8-4-3-5-9-18/h3-10,15,20-21H,14H2,1-2H3,(H,29,30)/p-1/t20?,21-,25+/m0/s1