[(S)-cyclopropyl(phenyl)methyl] (E)-3-(6-bromanylpyridin-2-yl)-2-cyano-prop-2-enoate

Systemtic Name: [(S)-cyclopropyl(phenyl)methyl] (E)-3-(6-bromanylpyridin-2-yl)-2-cyano-prop-2-enoate Openeye Name: [(S)-cyclopropyl(phenyl)methyl] (E)-3-(6-bromo-2-pyridyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(6-bromo-2-pyridinyl)-2-cyano-2-propenoic acid [(S)-cyclopropyl(phenyl)methyl] ester IUPAC Name: [(S)-cyclopropyl(phenyl)methyl] (E)-3-(6-bromopyridin-2-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(6-bromo-2-pyridyl)-2-cyano-acrylic acid [(S)-cyclopropyl(phenyl)methyl] ester Formula: C19H15BrN2O2 MolecularWeight: 383.2386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(C2=CC=CC=C2)OC(=O)C(=CC3=NC(=CC=C3)Br)C#N

Isomeric SMILES

C1CC1[C@@H](C2=CC=CC=C2)OC(=O)/C(=C/C3=NC(=CC=C3)Br)/C#N

InChI

InChI=1S/C19H15BrN2O2/c20-17-8-4-7-16(22-17)11-15(12-21)19(23)24-18(14-9-10-14)13-5-2-1-3-6-13/h1-8,11,14,18H,9-10H2/b15-11+/t18-/m1/s1