(4-cyanophenyl)methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (4-cyanophenyl)methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid (4-cyanobenzyl) ester Formula: C17H13NO4 MolecularWeight: 295.28942

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)OCC3=CC=C(C=C3)C#N

InChI

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