(Z)-3-(3-bromanyl-4-pentoxy-phenyl)-2-cyano-prop-2-enoic acid

Systemtic Name: (Z)-3-(3-bromanyl-4-pentoxy-phenyl)-2-cyano-prop-2-enoic acid Openeye Name: (Z)-3-(3-bromo-4-pentoxy-phenyl)-2-cyano-prop-2-enoic acid CAS Name: (Z)-3-(3-bromo-4-pentoxyphenyl)-2-cyano-2-propenoic acid IUPAC Name: (Z)-3-(3-bromo-4-pentoxyphenyl)-2-cyanoprop-2-enoic acid Traditional Name: (Z)-3-(4-amoxy-3-bromo-phenyl)-2-cyano-acrylic acid Formula: C15H16BrNO3 MolecularWeight: 338.19644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)O)Br

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)/C=C(/C#N)\C(=O)O)Br

InChI

InChI=1S/C15H16BrNO3/c1-2-3-4-7-20-14-6-5-11(9-13(14)16)8-12(10-17)15(18)19/h5-6,8-9H,2-4,7H2,1H3,(H,18,19)/b12-8-