(E)-3-(5-bromanyl-2-prop-2-ynoxy-phenyl)-2-cyano-N-prop-2-enyl-prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-prop-2-ynoxy-phenyl)-2-cyano-N-prop-2-enyl-prop-2-enamide Openeye Name: (E)-N-allyl-3-(5-bromo-2-prop-2-ynoxy-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-(5-bromo-2-prop-2-ynoxyphenyl)-2-cyano-N-prop-2-enyl-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-prop-2-ynoxyphenyl)-2-cyano-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-3-(5-bromo-2-propargyloxy-phenyl)-2-cyano-acrylamide Formula: C16H13BrN2O2 MolecularWeight: 345.19062

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C(=CC1=C(C=CC(=C1)Br)OCC#C)C#N

Isomeric SMILES

C=CCNC(=O)/C(=C/C1=C(C=CC(=C1)Br)OCC#C)/C#N

InChI

InChI=1S/C16H13BrN2O2/c1-3-7-19-16(20)13(11-18)9-12-10-14(17)5-6-15(12)21-8-4-2/h2-3,5-6,9-10H,1,7-8H2,(H,19,20)/b13-9+