(E)-4-(4-ethynyl-1,3,5-trimethyl-pyrrol-2-yl)but-3-en-2-one

Systemtic Name: (E)-4-(4-ethynyl-1,3,5-trimethyl-pyrrol-2-yl)but-3-en-2-one Openeye Name: (E)-4-(4-ethynyl-1,3,5-trimethyl-pyrrol-2-yl)but-3-en-2-one CAS Name: (E)-4-(4-ethynyl-1,3,5-trimethyl-2-pyrrolyl)-3-buten-2-one IUPAC Name: (E)-4-(4-ethynyl-1,3,5-trimethylpyrrol-2-yl)but-3-en-2-one Traditional Name: (E)-4-(4-ethynyl-1,3,5-trimethyl-pyrrol-2-yl)but-3-en-2-one Formula: C13H15NO MolecularWeight: 201.2643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#C)C)C)C=CC(=O)C

Isomeric SMILES

CC1=C(N(C(=C1C#C)C)C)/C=C/C(=O)C

InChI

InChI=1S/C13H15NO/c1-6-12-10(3)13(8-7-9(2)15)14(5)11(12)4/h1,7-8H,2-5H3/b8-7+