(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enamide CAS Name: (E)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenamide IUPAC Name: (E)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enamide Traditional Name: (E)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)C

InChI

InChI=1S/C22H23N3O4/c1-5-6-25-13(2)7-16(14(25)3)8-17(11-23)22(27)24-19-10-21-20(28-12-29-21)9-18(19)15(4)26/h7-10H,5-6,12H2,1-4H3,(H,24,27)/b17-8+