(4E)-4-[(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one

Systemtic Name: (4E)-4-[(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one Openeye Name: (4E)-4-[(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-2-(o-tolyl)oxazol-5-one CAS Name: (4E)-4-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2-methylphenyl)-5-oxazolone IUPAC Name: (4E)-4-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one Traditional Name: (4E)-4-(3-chloro-5-methoxy-4-propargyloxy-benzylidene)-2-(o-tolyl)-2-oxazolin-5-one Formula: C21H16ClNO4 MolecularWeight: 381.80904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=CC3=CC(=C(C(=C3)Cl)OCC#C)OC)C(=O)O2

Isomeric SMILES

CC1=CC=CC=C1C2=N/C(=C/C3=CC(=C(C(=C3)Cl)OCC#C)OC)/C(=O)O2

InChI

InChI=1S/C21H16ClNO4/c1-4-9-26-19-16(22)10-14(12-18(19)25-3)11-17-21(24)27-20(23-17)15-8-6-5-7-13(15)2/h1,5-8,10-12H,9H2,2-3H3/b17-11+