(Z)-4-(7-chloranyl-1,3-benzodioxol-5-yl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoate

Systemtic Name: (Z)-4-(7-chloranyl-1,3-benzodioxol-5-yl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoate Openeye Name: (Z)-4-(7-chloro-1,3-benzodioxol-5-yl)-2-oxo-3-(2-quinolyl)but-3-enoate CAS Name: (Z)-4-(7-chloro-1,3-benzodioxol-5-yl)-2-oxo-3-(2-quinolinyl)-3-butenoate IUPAC Name: (Z)-4-(7-chloro-1,3-benzodioxol-5-yl)-2-oxo-3-quinolin-2-ylbut-3-enoate Traditional Name: (Z)-4-(7-chloro-1,3-benzodioxol-5-yl)-2-keto-3-(2-quinolyl)but-3-enoate Formula: C20H11ClNO5- MolecularWeight: 380.75804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12ClNO5/c21-14-8-11(9-17-19(14)27-10-26-17)7-13(18(23)20(24)25)16-6-5-12-3-1-2-4-15(12)22-16/h1-9H,10H2,(H,24,25)/p-1/b13-7-