methyl (3Z)-3-(chloranylmethylidene)-5-(phenylmethyl)-1-benzoxepine-7-carboxylate

Systemtic Name: methyl (3Z)-3-(chloranylmethylidene)-5-(phenylmethyl)-1-benzoxepine-7-carboxylate Openeye Name: methyl (3Z)-5-benzyl-3-(chloromethylene)-1-benzoxepine-7-carboxylate CAS Name: (3Z)-3-(chloromethylidene)-5-(phenylmethyl)-1-benzoxepin-7-carboxylic acid methyl ester IUPAC Name: methyl (3Z)-5-benzyl-3-(chloromethylidene)-1-benzoxepine-7-carboxylate Traditional Name: (3Z)-5-benzyl-3-(chloromethylene)-1-benzoxepin-7-carboxylic acid methyl ester Formula: C20H17ClO3 MolecularWeight: 340.80018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC(=CCl)C=C2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC/C(=C\Cl)/C=C2CC3=CC=CC=C3

InChI

InChI=1S/C20H17ClO3/c1-23-20(22)16-7-8-19-18(11-16)17(10-15(12-21)13-24-19)9-14-5-3-2-4-6-14/h2-8,10-12H,9,13H2,1H3/b15-12-