8-azanyl-4-(1,3-benzodioxol-5-ylmethylamino)quinoline-3-carboxylic acid

Systemtic Name: 8-azanyl-4-(1,3-benzodioxol-5-ylmethylamino)quinoline-3-carboxylic acid Openeye Name: 8-amino-4-(1,3-benzodioxol-5-ylmethylamino)quinoline-3-carboxylic acid CAS Name: 8-amino-4-(1,3-benzodioxol-5-ylmethylamino)-3-quinolinecarboxylic acid IUPAC Name: 8-amino-4-(1,3-benzodioxol-5-ylmethylamino)quinoline-3-carboxylic acid Traditional Name: 8-amino-4-(piperonylamino)quinoline-3-carboxylic acid Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C4C=CC=C(C4=NC=C3C(=O)O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C4C=CC=C(C4=NC=C3C(=O)O)N

InChI

InChI=1S/C18H15N3O4/c19-13-3-1-2-11-16(12(18(22)23)8-21-17(11)13)20-7-10-4-5-14-15(6-10)25-9-24-14/h1-6,8H,7,9,19H2,(H,20,21)(H,22,23)