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

Systemtic Name: propan-2-yl (E)-3-(5-bromanyl-2-prop-2-ynoxy-phenyl)-2-cyano-prop-2-enoate Openeye Name: isopropyl (E)-3-(5-bromo-2-prop-2-ynoxy-phenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(5-bromo-2-prop-2-ynoxyphenyl)-2-cyano-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-(5-bromo-2-prop-2-ynoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(5-bromo-2-propargyloxy-phenyl)-2-cyano-acrylic acid isopropyl ester Formula: C16H14BrNO3 MolecularWeight: 348.19126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=CC1=C(C=CC(=C1)Br)OCC#C)C#N

Isomeric SMILES

CC(C)OC(=O)/C(=C/C1=C(C=CC(=C1)Br)OCC#C)/C#N

InChI

InChI=1S/C16H14BrNO3/c1-4-7-20-15-6-5-14(17)9-12(15)8-13(10-18)16(19)21-11(2)3/h1,5-6,8-9,11H,7H2,2-3H3/b13-8+