(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-cyanobenzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-cyanobenzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C20H15NO4 MolecularWeight: 333.3374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC(=C3)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC(=C3)C#N)C

InChI

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