propan-2-yl (E)-3-(3-bromophenyl)-2-cyano-prop-2-enoate

Systemtic Name: propan-2-yl (E)-3-(3-bromophenyl)-2-cyano-prop-2-enoate Openeye Name: isopropyl (E)-3-(3-bromophenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-2-cyano-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-(3-bromophenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)-2-cyano-acrylic acid isopropyl ester Formula: C13H12BrNO2 MolecularWeight: 294.14388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrNO2/c1-9(2)17-13(16)11(8-15)6-10-4-3-5-12(14)7-10/h3-7,9H,1-2H3/b11-6+