methyl 4-cyano-1-oxidanylidene-isochromene-3-carboxylate

Systemtic Name: methyl 4-cyano-1-oxidanylidene-isochromene-3-carboxylate Openeye Name: methyl 4-cyano-1-oxo-isochromene-3-carboxylate CAS Name: 4-cyano-1-oxo-2-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 4-cyano-1-oxoisochromene-3-carboxylate Traditional Name: 4-cyano-1-keto-isochromene-3-carboxylic acid methyl ester Formula: C12H7NO4 MolecularWeight: 229.18828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2C(=O)O1)C#N

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2C(=O)O1)C#N

InChI

InChI=1S/C12H7NO4/c1-16-12(15)10-9(6-13)7-4-2-3-5-8(7)11(14)17-10/h2-5H,1H3