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

Systemtic Name: N-[(E)-(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[(E)-(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-4-cyano-2-fluoro-benzamide CAS Name: N-[(E)-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-cyano-2-fluorobenzamide IUPAC Name: N-[(E)-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-cyano-2-fluorobenzamide Traditional Name: N-[(E)-(3-bromo-5-ethoxy-4-propargyloxy-benzylidene)amino]-4-cyano-2-fluoro-benzamide Formula: C20H15BrFN3O3 MolecularWeight: 444.253803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=C(C=C(C=C2)C#N)F)Br)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=N/NC(=O)C2=C(C=C(C=C2)C#N)F)Br)OCC#C

InChI

InChI=1S/C20H15BrFN3O3/c1-3-7-28-19-16(21)8-14(10-18(19)27-4-2)12-24-25-20(26)15-6-5-13(11-23)9-17(15)22/h1,5-6,8-10,12H,4,7H2,2H3,(H,25,26)/b24-12+