4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3-quinolin-2-ylbut-3-enoic acid Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-3-(2-quinolyl)but-3-enoic acid Formula: C21H15NO5 MolecularWeight: 361.3475

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C=C(C3=NC4=CC=CC=C4C=C3)C(=O)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C=C(C3=NC4=CC=CC=C4C=C3)C(=O)C(=O)O

InChI

InChI=1S/C21H15NO5/c23-20(21(24)25)15(17-7-6-14-3-1-2-4-16(14)22-17)11-13-5-8-18-19(12-13)27-10-9-26-18/h1-8,11-12H,9-10H2,(H,24,25)