(Z)-4-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid

Systemtic Name: (Z)-4-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid Openeye Name: (Z)-4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: (Z)-4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-oxo-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: (Z)-4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-oxo-3-quinolin-2-ylbut-3-enoic acid Traditional Name: (Z)-4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-keto-3-(2-quinolyl)but-3-enoic acid Formula: C21H14ClNO5 MolecularWeight: 395.79256

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)C=C(C3=NC4=CC=CC=C4C=C3)C(=O)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)/C=C(/C3=NC4=CC=CC=C4C=C3)\C(=O)C(=O)O

InChI

InChI=1S/C21H14ClNO5/c22-15-10-12(11-18-20(15)28-8-7-27-18)9-14(19(24)21(25)26)17-6-5-13-3-1-2-4-16(13)23-17/h1-6,9-11H,7-8H2,(H,25,26)/b14-9-