2-methoxyethyl (E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate

Systemtic Name: 2-methoxyethyl (E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: 2-methoxyethyl (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-acrylic acid 2-methoxyethyl ester Formula: C14H12BrNO5 MolecularWeight: 354.15278

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C(=CC1=CC2=C(C(=C1)Br)OCO2)C#N

Isomeric SMILES

COCCOC(=O)/C(=C/C1=CC2=C(C(=C1)Br)OCO2)/C#N

InChI

InChI=1S/C14H12BrNO5/c1-18-2-3-19-14(17)10(7-16)4-9-5-11(15)13-12(6-9)20-8-21-13/h4-6H,2-3,8H2,1H3/b10-4+