4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-2-oxo-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-oxo-3-quinolin-2-ylbut-3-enoic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-keto-3-(2-quinolyl)but-3-enoic acid Formula: C20H13NO5 MolecularWeight: 347.32092

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C3=NC4=CC=CC=C4C=C3)C(=O)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=C(C3=NC4=CC=CC=C4C=C3)C(=O)C(=O)O

InChI

InChI=1S/C20H13NO5/c22-19(20(23)24)14(9-12-5-8-17-18(10-12)26-11-25-17)16-7-6-13-3-1-2-4-15(13)21-16/h1-10H,11H2,(H,23,24)