(E)-3-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)-2-cyano-N-(3-methylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)-2-cyano-N-(3-methylphenyl)prop-2-enamide Openeye Name: (E)-3-(4-allyloxy-3-bromo-5-methoxy-phenyl)-2-cyano-N-(m-tolyl)prop-2-enamide CAS Name: (E)-3-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-2-cyano-N-(3-methylphenyl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-2-cyano-N-(3-methylphenyl)prop-2-enamide Traditional Name: (E)-3-(4-allyloxy-3-bromo-5-methoxy-phenyl)-2-cyano-N-(m-tolyl)acrylamide Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(=CC2=CC(=C(C(=C2)Br)OCC=C)OC)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)/C(=C/C2=CC(=C(C(=C2)Br)OCC=C)OC)/C#N

InChI

InChI=1S/C21H19BrN2O3/c1-4-8-27-20-18(22)11-15(12-19(20)26-3)10-16(13-23)21(25)24-17-7-5-6-14(2)9-17/h4-7,9-12H,1,8H2,2-3H3,(H,24,25)/b16-10+