2-(3,4-dimethoxyphenyl)-2-prop-2-ynyl-pent-4-ynenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-prop-2-ynyl-pent-4-ynenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-2-prop-2-ynyl-pent-4-ynenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-2-prop-2-ynyl-4-pentynenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-2-prop-2-ynylpent-4-ynenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-2-propargyl-pent-4-ynenitrile Formula: C16H15NO2 MolecularWeight: 253.2958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC#C)(CC#C)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC#C)(CC#C)C#N)OC

InChI

InChI=1S/C16H15NO2/c1-5-9-16(12-17,10-6-2)13-7-8-14(18-3)15(11-13)19-4/h1-2,7-8,11H,9-10H2,3-4H3