(E)-2-(4-chlorophenyl)carbonyl-3-(3-pyrimidin-2-yloxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-chlorophenyl)carbonyl-3-(3-pyrimidin-2-yloxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-chlorobenzoyl)-3-(3-pyrimidin-2-yloxyphenyl)prop-2-enenitrile CAS Name: (E)-2-[(4-chlorophenyl)-oxomethyl]-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(4-chlorobenzoyl)-3-(3-pyrimidin-2-yloxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-chlorobenzoyl)-3-[3-(2-pyrimidyloxy)phenyl]acrylonitrile Formula: C20H12ClN3O2 MolecularWeight: 361.78118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=NC=CC=N2)C=C(C#N)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)OC2=NC=CC=N2)/C=C(\C#N)/C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H12ClN3O2/c21-17-7-5-15(6-8-17)19(25)16(13-22)11-14-3-1-4-18(12-14)26-20-23-9-2-10-24-20/h1-12H/b16-11+