(Z)-3-(3-bromanyl-5-ethoxy-4-hexoxy-phenyl)-2-cyano-prop-2-enoic acid

Systemtic Name: (Z)-3-(3-bromanyl-5-ethoxy-4-hexoxy-phenyl)-2-cyano-prop-2-enoic acid Openeye Name: (Z)-3-(3-bromo-5-ethoxy-4-hexoxy-phenyl)-2-cyano-prop-2-enoic acid CAS Name: (Z)-3-(3-bromo-5-ethoxy-4-hexoxyphenyl)-2-cyano-2-propenoic acid IUPAC Name: (Z)-3-(3-bromo-5-ethoxy-4-hexoxyphenyl)-2-cyanoprop-2-enoic acid Traditional Name: (Z)-3-(3-bromo-5-ethoxy-4-hexoxy-phenyl)-2-cyano-acrylic acid Formula: C18H22BrNO4 MolecularWeight: 396.27558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Br)C=C(C#N)C(=O)O)OCC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Br)/C=C(/C#N)\C(=O)O)OCC

InChI

InChI=1S/C18H22BrNO4/c1-3-5-6-7-8-24-17-15(19)10-13(11-16(17)23-4-2)9-14(12-20)18(21)22/h9-11H,3-8H2,1-2H3,(H,21,22)/b14-9-