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

Systemtic Name: (E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-[(2,5-dimethyl-1-propyl-3-pyrrolyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-(2,5-dimethyl-1-propylpyrrole-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)acrylonitrile Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)C(=CC2=CC3=C(C(=C2)Br)OCO3)C#N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)/C(=C/C2=CC3=C(C(=C2)Br)OCO3)/C#N)C

InChI

InChI=1S/C20H19BrN2O3/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/h6-9H,4-5,11H2,1-3H3/b15-7+