3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide

Systemtic Name: 3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Openeye Name: 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide CAS Name: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenamide IUPAC Name: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Traditional Name: 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acrylamide Formula: C19H15BrN2O5 MolecularWeight: 431.2368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3)Br)O

InChI

InChI=1S/C19H15BrN2O5/c1-25-17-8-11(7-14(20)18(17)23)6-12(10-21)19(24)22-13-2-3-15-16(9-13)27-5-4-26-15/h2-3,6-9,23H,4-5H2,1H3,(H,22,24)