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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-6-bromanyl-quinoline-4-carboxylate Openeye Name: 2-(1,3-benzodioxol-5-yl)-6-bromo-quinoline-4-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-6-bromo-4-quinolinecarboxylate IUPAC Name: 2-(1,3-benzodioxol-5-yl)-6-bromoquinoline-4-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-6-bromo-cinchoninate Formula: C17H9BrNO4- MolecularWeight: 371.16166

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)[O-]

InChI

InChI=1S/C17H10BrNO4/c18-10-2-3-13-11(6-10)12(17(20)21)7-14(19-13)9-1-4-15-16(5-9)23-8-22-15/h1-7H,8H2,(H,20,21)/p-1