4-[(2R,3S)-3-(1,3-benzodioxol-5-yl)oxiran-2-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[(2R,3S)-3-(1,3-benzodioxol-5-yl)oxiran-2-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[(2R,3S)-3-(1,3-benzodioxol-5-yl)oxirane-2-carbonyl]benzonitrile CAS Name: 4-[[(2R,3S)-3-(1,3-benzodioxol-5-yl)-2-oxiranyl]-oxomethyl]benzonitrile IUPAC Name: 4-[(2R,3S)-3-(1,3-benzodioxol-5-yl)oxirane-2-carbonyl]benzonitrile Traditional Name: 4-[(2R,3S)-3-(1,3-benzodioxol-5-yl)oxirane-2-carbonyl]benzonitrile Formula: C17H11NO4 MolecularWeight: 293.27354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C(O3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@H]3[C@@H](O3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C17H11NO4/c18-8-10-1-3-11(4-2-10)15(19)17-16(22-17)12-5-6-13-14(7-12)21-9-20-13/h1-7,16-17H,9H2/t16-,17-/m0/s1