methyl 7-cyano-2,5-dihydro-1-benzoxepine-9-carboxylate

Systemtic Name: methyl 7-cyano-2,5-dihydro-1-benzoxepine-9-carboxylate Openeye Name: methyl 7-cyano-2,5-dihydro-1-benzoxepine-9-carboxylate CAS Name: 7-cyano-2,5-dihydro-1-benzoxepin-9-carboxylic acid methyl ester IUPAC Name: methyl 7-cyano-2,5-dihydro-1-benzoxepine-9-carboxylate Traditional Name: 7-cyano-2,5-dihydro-1-benzoxepin-9-carboxylic acid methyl ester Formula: C13H11NO3 MolecularWeight: 229.23134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC(=C1)C#N)CC=CCO2

Isomeric SMILES

COC(=O)C1=C2C(=CC(=C1)C#N)CC=CCO2

InChI

InChI=1S/C13H11NO3/c1-16-13(15)11-7-9(8-14)6-10-4-2-3-5-17-12(10)11/h2-3,6-7H,4-5H2,1H3