[4-(cyanomethyl)phenyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [4-(cyanomethyl)phenyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [4-(cyanomethyl)phenyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [4-(cyanomethyl)phenyl] ester Formula: C17H13NO4 MolecularWeight: 295.28942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)OC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)OC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C17H13NO4/c18-10-9-12-5-7-13(8-6-12)21-17(19)16-11-20-14-3-1-2-4-15(14)22-16/h1-8,16H,9,11H2/t16-/m0/s1