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

Systemtic Name: (4E)-4-[(3-chloranyl-4-prop-2-ynoxy-phenyl)methylidene]-3-methyl-1,2-oxazol-5-one Openeye Name: (4E)-4-[(3-chloro-4-prop-2-ynoxy-phenyl)methylene]-3-methyl-isoxazol-5-one CAS Name: (4E)-4-[(3-chloro-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-isoxazolone IUPAC Name: (4E)-4-[(3-chloro-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one Traditional Name: (4E)-4-(3-chloro-4-propargyloxy-benzylidene)-3-methyl-2-isoxazolin-5-one Formula: C14H10ClNO3 MolecularWeight: 275.6871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=O)C1=CC2=CC(=C(C=C2)OCC#C)Cl

Isomeric SMILES

CC\1=NOC(=O)/C1=C/C2=CC(=C(C=C2)OCC#C)Cl

InChI

InChI=1S/C14H10ClNO3/c1-3-6-18-13-5-4-10(8-12(13)15)7-11-9(2)16-19-14(11)17/h1,4-5,7-8H,6H2,2H3/b11-7+