ethyl 9-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: ethyl 9-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: ethyl 9-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 9-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 9-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 9-[(E)-3-ethoxy-3-keto-prop-1-enyl]-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester Formula: C18H20O5 MolecularWeight: 316.3484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=CC2=C1OCCC(=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=CC2=C1OCCC(=C2)C(=O)OCC

InChI

InChI=1S/C18H20O5/c1-3-21-16(19)9-8-13-6-5-7-14-12-15(18(20)22-4-2)10-11-23-17(13)14/h5-9,12H,3-4,10-11H2,1-2H3/b9-8+