methyl 6-(2-cyanoethyl)-5-oxidanylidene-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate

Systemtic Name: methyl 6-(2-cyanoethyl)-5-oxidanylidene-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate Openeye Name: methyl 6-(2-cyanoethyl)-5-oxo-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate CAS Name: 6-(2-cyanoethyl)-5-oxo-8,9-dihydro-7H-benzo[7]annulene-6-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-cyanoethyl)-5-oxo-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate Traditional Name: 6-(2-cyanoethyl)-5-keto-8,9-dihydro-7H-benzocycloheptene-6-carboxylic acid methyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCC2=CC=CC=C2C1=O)CCC#N

Isomeric SMILES

COC(=O)C1(CCCC2=CC=CC=C2C1=O)CCC#N

InChI

InChI=1S/C16H17NO3/c1-20-15(19)16(10-5-11-17)9-4-7-12-6-2-3-8-13(12)14(16)18/h2-3,6,8H,4-5,7,9-10H2,1H3