(E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-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-(7-bromo-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-[(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-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-(7-bromo-1,3-benzodioxol-5-yl)acrylonitrile Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)C(=CC2=CC3=C(C(=C2)Br)OCO3)C#N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)/C(=C/C2=CC3=C(C(=C2)Br)OCO3)/C#N

InChI

InChI=1S/C20H17BrN2O3/c1-4-5-23-12(2)6-16(13(23)3)19(24)15(10-22)7-14-8-17(21)20-18(9-14)25-11-26-20/h4,6-9H,1,5,11H2,2-3H3/b15-7+