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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-6-methyl-quinoline-4-carboxylate Openeye Name: 2-(1,3-benzodioxol-5-yl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-6-methyl-4-quinolinecarboxylate IUPAC Name: 2-(1,3-benzodioxol-5-yl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-6-methyl-cinchoninate Formula: C18H12NO4- MolecularWeight: 306.29218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H13NO4/c1-10-2-4-14-12(6-10)13(18(20)21)8-15(19-14)11-3-5-16-17(7-11)23-9-22-16/h2-8H,9H2,1H3,(H,20,21)/p-1