methyl 9-(chloromethyl)-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: methyl 9-(chloromethyl)-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: methyl 9-(chloromethyl)-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 9-(chloromethyl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid methyl ester IUPAC Name: methyl 9-(chloromethyl)-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 9-(chloromethyl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid methyl ester Formula: C13H13ClO3 MolecularWeight: 252.69352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C(=CC=C2)CCl)OCC1

Isomeric SMILES

COC(=O)C1=CC2=C(C(=CC=C2)CCl)OCC1

InChI

InChI=1S/C13H13ClO3/c1-16-13(15)10-5-6-17-12-9(7-10)3-2-4-11(12)8-14/h2-4,7H,5-6,8H2,1H3