3-[(E)-2-bromanyl-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid

Systemtic Name: 3-[(E)-2-bromanyl-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid Openeye Name: 3-[(E)-2-bromo-3-hydroxy-3-oxo-prop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropanecarboxylic acid CAS Name: 3-[(E)-2-bromo-3-hydroxy-3-oxoprop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid IUPAC Name: 3-[(E)-2-bromo-3-hydroxy-3-oxoprop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethylcyclopropane-1-carboxylic acid Traditional Name: 3-[(E)-2-bromo-3-hydroxy-3-keto-prop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropanecarboxylic acid Formula: C23H20BrNO5 MolecularWeight: 470.3126

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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=C(C(=O)O)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrNO5/c1-22(2)19(12-18(24)20(26)27)23(22,21(28)29)17(13-25)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17,19H,1-2H3,(H,26,27)(H,28,29)/b18-12+