methyl 2-(5-oxidanylidene-3,4-dihydro-2H-1-benzoxepin-7-yl)ethanoate

Systemtic Name: methyl 2-(5-oxidanylidene-3,4-dihydro-2H-1-benzoxepin-7-yl)ethanoate Openeye Name: methyl 2-(5-oxo-3,4-dihydro-2H-1-benzoxepin-7-yl)acetate CAS Name: 2-(5-oxo-3,4-dihydro-2H-1-benzoxepin-7-yl)acetic acid methyl ester IUPAC Name: methyl 2-(5-oxo-3,4-dihydro-2H-1-benzoxepin-7-yl)acetate Traditional Name: 2-(5-keto-3,4-dihydro-2H-1-benzoxepin-7-yl)acetic acid methyl ester Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC2=C(C=C1)OCCCC2=O

Isomeric SMILES

COC(=O)CC1=CC2=C(C=C1)OCCCC2=O

InChI

InChI=1S/C13H14O4/c1-16-13(15)8-9-4-5-12-10(7-9)11(14)3-2-6-17-12/h4-5,7H,2-3,6,8H2,1H3