(3-cyanophenyl) 1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate

Systemtic Name: (3-cyanophenyl) 1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate Openeye Name: (3-cyanophenyl) 1-oxoisochromane-3-carboxylate CAS Name: 1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 1-oxo-3,4-dihydroisochromene-3-carboxylate Traditional Name: 1-ketoisochroman-3-carboxylic acid (3-cyanophenyl) ester Formula: C17H11NO4 MolecularWeight: 293.27354

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)OC3=CC=CC(=C3)C#N

Isomeric SMILES

C1C(OC(=O)C2=CC=CC=C21)C(=O)OC3=CC=CC(=C3)C#N

InChI

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