(3-cyanophenyl) 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: (3-cyanophenyl) 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: (3-cyanophenyl) 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid (3-cyanophenyl) ester Formula: C16H11NO4 MolecularWeight: 281.26284

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)OC3=CC=CC(=C3)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)OC3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H11NO4/c17-10-11-2-1-3-13(8-11)21-16(18)12-4-5-14-15(9-12)20-7-6-19-14/h1-5,8-9H,6-7H2