dimethyl 3-benzoxepine-2,4-dicarboxylate

Systemtic Name: dimethyl 3-benzoxepine-2,4-dicarboxylate Openeye Name: dimethyl 3-benzoxepine-2,4-dicarboxylate CAS Name: 3-benzoxepin-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-benzoxepine-2,4-dicarboxylate Traditional Name: 3-benzoxepin-2,4-dicarboxylic acid dimethyl ester Formula: C14H12O5 MolecularWeight: 260.24208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C=C(O1)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C=C(O1)C(=O)OC

InChI

InChI=1S/C14H12O5/c1-17-13(15)11-7-9-5-3-4-6-10(9)8-12(19-11)14(16)18-2/h3-8H,1-2H3