1,3-benzodioxol-5-yl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate

Systemtic Name: 1,3-benzodioxol-5-yl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Openeye Name: 1,3-benzodioxol-5-yl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate CAS Name: (E)-3-[1-(2-cyanoethyl)-3-indolyl]-2-propenoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]acrylic acid 1,3-benzodioxol-5-yl ester Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OC(=O)C=CC3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OC(=O)/C=C/C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C21H16N2O4/c22-10-3-11-23-13-15(17-4-1-2-5-18(17)23)6-9-21(24)27-16-7-8-19-20(12-16)26-14-25-19/h1-2,4-9,12-13H,3,11,14H2/b9-6+