2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylate

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylate Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]cinchoninate Formula: C19H12NO4- MolecularWeight: 318.30288

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=NC4=CC=CC=C4C(=C3)C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=CC=CC=C4C(=C3)C(=O)[O-]

InChI

InChI=1S/C19H13NO4/c21-19(22)15-10-13(20-16-4-2-1-3-14(15)16)7-5-12-6-8-17-18(9-12)24-11-23-17/h1-10H,11H2,(H,21,22)/p-1/b7-5+