2-(1,3-benzodioxol-5-yl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-8-methyl-quinoline-4-carboxylate Openeye Name: 2-(1,3-benzodioxol-5-yl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-8-methyl-4-quinolinecarboxylate IUPAC Name: 2-(1,3-benzodioxol-5-yl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-8-methyl-cinchoninate Formula: C18H12NO4- MolecularWeight: 306.29218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)[O-])C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)[O-])C3=CC4=C(C=C3)OCO4

InChI

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