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

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[(2,5-dimethyl-1-propyl-3-pyrrolyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(2,5-dimethyl-1-propylpyrrole-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)acrylonitrile Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)C(=CC2=CC(=C(C(=C2)Br)O)OC)C#N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)/C(=C/C2=CC(=C(C(=C2)Br)O)OC)/C#N)C

InChI

InChI=1S/C20H21BrN2O3/c1-5-6-23-12(2)7-16(13(23)3)19(24)15(11-22)8-14-9-17(21)20(25)18(10-14)26-4/h7-10,25H,5-6H2,1-4H3/b15-8+