N-[(E)-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-4-cyano-2-fluoranyl-benzamide

Systemtic Name: N-[(E)-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[(E)-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-4-cyano-2-fluoro-benzamide CAS Name: N-[(E)-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-cyano-2-fluorobenzamide IUPAC Name: N-[(E)-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-cyano-2-fluorobenzamide Traditional Name: N-[(E)-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)amino]-4-cyano-2-fluoro-benzamide Formula: C19H13BrFN3O3 MolecularWeight: 430.227223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)C2=C(C=C(C=C2)C#N)F)Br)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=O)C2=C(C=C(C=C2)C#N)F)Br)OCC#C

InChI

InChI=1S/C19H13BrFN3O3/c1-3-6-27-18-15(20)7-13(9-17(18)26-2)11-23-24-19(25)14-5-4-12(10-22)8-16(14)21/h1,4-5,7-9,11H,6H2,2H3,(H,24,25)/b23-11+