(E)-3-(5-bromanyl-2-propoxy-phenyl)-2-[(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]prop-2-enenitrile

Systemtic Name: (E)-3-(5-bromanyl-2-propoxy-phenyl)-2-[(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]prop-2-enenitrile Openeye Name: (E)-2-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)-3-(5-bromo-2-propoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]-3-(5-bromo-2-propoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)-3-(5-bromo-2-propoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)-3-(5-bromo-2-propoxy-phenyl)acrylonitrile Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)C2=C(C(=C(N2)C)C(=O)C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C21H21BrN2O3/c1-5-8-27-18-7-6-17(22)10-15(18)9-16(11-23)21(26)20-12(2)19(14(4)25)13(3)24-20/h6-7,9-10,24H,5,8H2,1-4H3/b16-9+