(2E,4E)-5-(4-ethynyl-1,3,5-trimethyl-pyrrol-2-yl)-3-methyl-penta-2,4-dienal

Systemtic Name: (2E,4E)-5-(4-ethynyl-1,3,5-trimethyl-pyrrol-2-yl)-3-methyl-penta-2,4-dienal Openeye Name: (2E,4E)-5-(4-ethynyl-1,3,5-trimethyl-pyrrol-2-yl)-3-methyl-penta-2,4-dienal CAS Name: (2E,4E)-5-(4-ethynyl-1,3,5-trimethyl-2-pyrrolyl)-3-methylpenta-2,4-dienal IUPAC Name: (2E,4E)-5-(4-ethynyl-1,3,5-trimethylpyrrol-2-yl)-3-methylpenta-2,4-dienal Traditional Name: (2E,4E)-5-(4-ethynyl-1,3,5-trimethyl-pyrrol-2-yl)-3-methyl-penta-2,4-dienal Formula: C15H17NO MolecularWeight: 227.30158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO/c1-6-14-12(3)15(16(5)13(14)4)8-7-11(2)9-10-17/h1,7-10H,2-5H3/b8-7+,11-9+