(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-cyanobenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C20H15NO4/c1-12-7-17-16(9-19(22)25-18(17)8-13(12)2)11-24-20(23)15-5-3-14(10-21)4-6-15/h3-9H,11H2,1-2H3