1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[(E)-3-oxidanylidene-3-prop-2-ynoxy-prop-1-enyl]cyclopropane-1-carboxylate

Systemtic Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[(E)-3-oxidanylidene-3-prop-2-ynoxy-prop-1-enyl]cyclopropane-1-carboxylate Openeye Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[(E)-3-oxo-3-prop-2-ynoxy-prop-1-enyl]cyclopropanecarboxylate CAS Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[(E)-3-oxo-3-prop-2-ynoxyprop-1-enyl]-1-cyclopropanecarboxylate IUPAC Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[(E)-3-oxo-3-prop-2-ynoxyprop-1-enyl]cyclopropane-1-carboxylate Traditional Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-3-keto-3-propargyloxy-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate Formula: C26H22NO5- MolecularWeight: 428.45658

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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#C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H23NO5/c1-4-15-31-23(28)14-13-22-25(2,3)26(22,24(29)30)21(17-27)18-9-8-12-20(16-18)32-19-10-6-5-7-11-19/h1,5-14,16,21-22H,15H2,2-3H3,(H,29,30)/p-1/b14-13+