3-methylideneoxiran-2-one; 4-(4-propan-2-yloxyphenyl)benzenecarbonitrile

Systemtic Name: 3-methylideneoxiran-2-one; 4-(4-propan-2-yloxyphenyl)benzenecarbonitrile Openeye Name: 4-(4-isopropoxyphenyl)benzonitrile; 3-methyleneoxiran-2-one CAS Name: 3-methylene-2-oxiranone; 4-(4-propan-2-yloxyphenyl)benzonitrile IUPAC Name: 3-methylideneoxiran-2-one; 4-(4-propan-2-yloxyphenyl)benzonitrile Traditional Name: 4-(4-isopropoxyphenyl)benzonitrile; 3-methyleneoxiran-2-one Formula: C19H17NO3 MolecularWeight: 307.34318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)C#N.C=C1C(=O)O1

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)C#N.C=C1C(=O)O1

InChI

InChI=1S/C16H15NO.C3H2O2/c1-12(2)18-16-9-7-15(8-10-16)14-5-3-13(11-17)4-6-14;1-2-3(4)5-2/h3-10,12H,1-2H3;1H2