(2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 3-cyanobenzoate

Systemtic Name: (2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 3-cyanobenzoate Openeye Name: (4-isopropyl-2-oxo-chromen-7-yl) 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (2-oxo-4-propan-2-yl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propan-2-ylchromen-7-yl) 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (4-isopropyl-2-keto-chromen-7-yl) ester Formula: C20H15NO4 MolecularWeight: 333.3374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)C1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=CC(=C3)C#N

InChI

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