2-(1,3-benzodioxol-5-yl)-3-(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(3-chloro-5-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-3-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(3-chloro-5-ethoxy-4-propargyloxy-phenyl)acrylonitrile Formula: C21H16ClNO4 MolecularWeight: 381.80904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC3=C(C=C2)OCO3)Cl)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC3=C(C=C2)OCO3)Cl)OCC#C

InChI

InChI=1S/C21H16ClNO4/c1-3-7-25-21-17(22)9-14(10-20(21)24-4-2)8-16(12-23)15-5-6-18-19(11-15)27-13-26-18/h1,5-6,8-11H,4,7,13H2,2H3