N'-[(E)-3-(2-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-cyano-prop-2-enoyl]benzohydrazide

Systemtic Name: N'-[(E)-3-(2-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-cyano-prop-2-enoyl]benzohydrazide Openeye Name: N'-[(E)-3-(2-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)-2-cyano-prop-2-enoyl]benzohydrazide CAS Name: N'-[(E)-3-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-2-cyano-1-oxoprop-2-enyl]benzohydrazide IUPAC Name: N'-[(E)-3-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-2-cyanoprop-2-enoyl]benzohydrazide Traditional Name: N'-[(E)-3-(2-bromo-5-methoxy-4-propargyloxy-phenyl)-2-cyano-acryloyl]benzohydrazide Formula: C21H16BrN3O4 MolecularWeight: 454.27344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN3O4/c1-3-9-29-19-12-17(22)15(11-18(19)28-2)10-16(13-23)21(27)25-24-20(26)14-7-5-4-6-8-14/h1,4-8,10-12H,9H2,2H3,(H,24,26)(H,25,27)/b16-10+