(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-N-cyclopropyl-prop-2-enamide

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-N-cyclopropyl-prop-2-enamide Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-cyclopropyl-prop-2-enamide CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-cyclopropyl-2-propenamide IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-cyclopropylprop-2-enamide Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-cyclopropyl-acrylamide Formula: C14H13BrN2O3 MolecularWeight: 337.16862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2CC2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2CC2)Br)O

InChI

InChI=1S/C14H13BrN2O3/c1-20-12-6-8(5-11(15)13(12)18)4-9(7-16)14(19)17-10-2-3-10/h4-6,10,18H,2-3H2,1H3,(H,17,19)/b9-4+