4-(5-bromanyl-2-methoxy-phenyl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid

Systemtic Name: 4-(5-bromanyl-2-methoxy-phenyl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid Openeye Name: 4-(5-bromo-2-methoxy-phenyl)-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: 4-(5-bromo-2-methoxyphenyl)-2-oxo-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: 4-(5-bromo-2-methoxyphenyl)-2-oxo-3-quinolin-2-ylbut-3-enoic acid Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-2-keto-3-(2-quinolyl)but-3-enoic acid Formula: C20H14BrNO4 MolecularWeight: 412.23346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=C(C2=NC3=CC=CC=C3C=C2)C(=O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C=C(C2=NC3=CC=CC=C3C=C2)C(=O)C(=O)O

InChI

InChI=1S/C20H14BrNO4/c1-26-18-9-7-14(21)10-13(18)11-15(19(23)20(24)25)17-8-6-12-4-2-3-5-16(12)22-17/h2-11H,1H3,(H,24,25)