2-(1,3-benzodioxol-5-yl)-6-methoxy-quinoline-4-carboxylate

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-6-methoxy-quinoline-4-carboxylate Openeye Name: 2-(1,3-benzodioxol-5-yl)-6-methoxy-quinoline-4-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-6-methoxy-4-quinolinecarboxylate IUPAC Name: 2-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-4-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-6-methoxy-cinchoninate Formula: C18H12NO5- MolecularWeight: 322.29158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H13NO5/c1-22-11-3-4-14-12(7-11)13(18(20)21)8-15(19-14)10-2-5-16-17(6-10)24-9-23-16/h2-8H,9H2,1H3,(H,20,21)/p-1