cyanomethyl 1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate

Systemtic Name: cyanomethyl 1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate Openeye Name: cyanomethyl 1-oxo-3-phenyl-isochromane-6-carboxylate CAS Name: 1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxylate Traditional Name: 1-keto-3-phenyl-isochroman-6-carboxylic acid cyanomethyl ester Formula: C18H13NO4 MolecularWeight: 307.30012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13NO4/c19-8-9-22-17(20)13-6-7-15-14(10-13)11-16(23-18(15)21)12-4-2-1-3-5-12/h1-7,10,16H,9,11H2