methyl (2Z)-2-[4,5-dimethyl-2-(2-phenylethynyl)cyclohexa-1,4-dien-1-yl]-2-methoxyimino-ethanoate

Systemtic Name: methyl (2Z)-2-[4,5-dimethyl-2-(2-phenylethynyl)cyclohexa-1,4-dien-1-yl]-2-methoxyimino-ethanoate Openeye Name: methyl (2Z)-2-[4,5-dimethyl-2-(2-phenylethynyl)cyclohexa-1,4-dien-1-yl]-2-methoxyimino-acetate CAS Name: (2Z)-2-[4,5-dimethyl-2-(2-phenylethynyl)-1-cyclohexa-1,4-dienyl]-2-methoxyiminoacetic acid methyl ester IUPAC Name: methyl (2Z)-2-[4,5-dimethyl-2-(2-phenylethynyl)cyclohexa-1,4-dien-1-yl]-2-methoxyiminoacetate Traditional Name: (2Z)-2-[4,5-dimethyl-2-(2-phenylethynyl)cyclohexa-1,4-dien-1-yl]-2-methyloximino-acetic acid methyl ester Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=C(C1)C#CC2=CC=CC=C2)C(=NOC)C(=O)OC)C

Isomeric SMILES

CC1=C(CC(=C(C1)C#CC2=CC=CC=C2)/C(=N/OC)/C(=O)OC)C

InChI

InChI=1S/C20H21NO3/c1-14-12-17(11-10-16-8-6-5-7-9-16)18(13-15(14)2)19(21-24-4)20(22)23-3/h5-9H,12-13H2,1-4H3/b21-19-