(6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-cyanobenzoate

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-cyanobenzoate Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C20H15NO4 MolecularWeight: 333.3374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H15NO4/c1-3-14-9-16-12(2)7-19(22)24-18(16)10-17(14)25-20(23)15-6-4-5-13(8-15)11-21/h4-10H,3H2,1-2H3