propan-2-yl (E)-3-(5-bromanyl-2-propoxy-phenyl)-2-cyano-prop-2-enoate

Systemtic Name: propan-2-yl (E)-3-(5-bromanyl-2-propoxy-phenyl)-2-cyano-prop-2-enoate Openeye Name: isopropyl (E)-3-(5-bromo-2-propoxy-phenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(5-bromo-2-propoxyphenyl)-2-cyano-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-(5-bromo-2-propoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(5-bromo-2-propoxy-phenyl)-2-cyano-acrylic acid isopropyl ester Formula: C16H18BrNO3 MolecularWeight: 352.22302

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)OC(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)OC(C)C

InChI

InChI=1S/C16H18BrNO3/c1-4-7-20-15-6-5-14(17)9-12(15)8-13(10-18)16(19)21-11(2)3/h5-6,8-9,11H,4,7H2,1-3H3/b13-8+