methyl 3-cyano-4-oxidanyl-azulene-1-carboxylate

Systemtic Name: methyl 3-cyano-4-oxidanyl-azulene-1-carboxylate Openeye Name: methyl 3-cyano-4-hydroxy-azulene-1-carboxylate CAS Name: 3-cyano-4-hydroxy-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-cyano-4-hydroxyazulene-1-carboxylate Traditional Name: 3-cyano-4-hydroxy-azulene-1-carboxylic acid methyl ester Formula: C13H9NO3 MolecularWeight: 227.21546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C2C1=CC=CC=C2O)C#N

Isomeric SMILES

COC(=O)C1=CC(=C2C1=CC=CC=C2O)C#N

InChI

InChI=1S/C13H9NO3/c1-17-13(16)10-6-8(7-14)12-9(10)4-2-3-5-11(12)15/h2-6,15H,1H3