(E)-3-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)-2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)-2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-(2-bromo-5-hydroxy-4-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-3-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-[(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-(2,5-dimethyl-1-prop-2-enylpyrrole-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-(2-bromo-5-hydroxy-4-methoxy-phenyl)acrylonitrile Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)C(=CC2=CC(=C(C=C2Br)OC)O)C#N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)/C(=C/C2=CC(=C(C=C2Br)OC)O)/C#N

InChI

InChI=1S/C20H19BrN2O3/c1-5-6-23-12(2)7-16(13(23)3)20(25)15(11-22)8-14-9-18(24)19(26-4)10-17(14)21/h5,7-10,24H,1,6H2,2-4H3/b15-8+