(E)-3-(7-chloranyl-2-methyl-1-oxidanylidene-3-phenyl-isoquinolin-4-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(7-chloranyl-2-methyl-1-oxidanylidene-3-phenyl-isoquinolin-4-yl)prop-2-enoic acid Openeye Name: (E)-3-(7-chloro-2-methyl-1-oxo-3-phenyl-4-isoquinolyl)prop-2-enoic acid CAS Name: (E)-3-(7-chloro-2-methyl-1-oxo-3-phenyl-4-isoquinolinyl)-2-propenoic acid IUPAC Name: (E)-3-(7-chloro-2-methyl-1-oxo-3-phenylisoquinolin-4-yl)prop-2-enoic acid Traditional Name: (E)-3-(7-chloro-1-keto-2-methyl-3-phenyl-4-isoquinolyl)acrylic acid Formula: C19H14ClNO3 MolecularWeight: 339.77236

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=C(C=C2)Cl)C=CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=C(C=C2)Cl)/C=C/C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C19H14ClNO3/c1-21-18(12-5-3-2-4-6-12)15(9-10-17(22)23)14-8-7-13(20)11-16(14)19(21)24/h2-11H,1H3,(H,22,23)/b10-9+