4-(1,3-benzodioxol-5-ylamino)-8-methoxy-quinoline-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-ylamino)-8-methoxy-quinoline-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-ylamino)-8-methoxy-quinoline-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-ylamino)-8-methoxy-3-quinolinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylamino)-8-methoxyquinoline-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-8-methoxy-quinoline-3-carboxylic acid Formula: C18H14N2O5 MolecularWeight: 338.31416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C(C(=CN=C21)C(=O)O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC2=C(C(=CN=C21)C(=O)O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H14N2O5/c1-23-14-4-2-3-11-16(12(18(21)22)8-19-17(11)14)20-10-5-6-13-15(7-10)25-9-24-13/h2-8H,9H2,1H3,(H,19,20)(H,21,22)