7-(1,3-benzodioxol-5-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: 7-(1,3-benzodioxol-5-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: 7-(1,3-benzodioxol-5-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 7-(1,3-benzodioxol-5-yl)-2,3-dihydro-1-benzoxepin-4-carboxylate IUPAC Name: 7-(1,3-benzodioxol-5-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 7-(1,3-benzodioxol-5-yl)-2,3-dihydro-1-benzoxepin-4-carboxylate Formula: C18H13O5- MolecularWeight: 309.29282

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C1C(=O)[O-])C=C(C=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COC2=C(C=C1C(=O)[O-])C=C(C=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H14O5/c19-18(20)13-5-6-21-15-3-1-11(7-14(15)8-13)12-2-4-16-17(9-12)23-10-22-16/h1-4,7-9H,5-6,10H2,(H,19,20)/p-1