2-(1-oxidanylideneisochromen-3-yl)propan-2-yl 4-cyanobenzoate

Systemtic Name: 2-(1-oxidanylideneisochromen-3-yl)propan-2-yl 4-cyanobenzoate Openeye Name: [1-methyl-1-(1-oxoisochromen-3-yl)ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid 2-(1-oxo-2-benzopyran-3-yl)propan-2-yl ester IUPAC Name: 2-(1-oxoisochromen-3-yl)propan-2-yl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [1-(1-ketoisochromen-3-yl)-1-methyl-ethyl] ester Formula: C20H15NO4 MolecularWeight: 333.3374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC2=CC=CC=C2C(=O)O1)OC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C1=CC2=CC=CC=C2C(=O)O1)OC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H15NO4/c1-20(2,25-18(22)14-9-7-13(12-21)8-10-14)17-11-15-5-3-4-6-16(15)19(23)24-17/h3-11H,1-2H3