4-[3,4-dimethyl-5-(3-oxidanylidenebutyl)-1H-pyrrol-2-yl]butan-2-one

Systemtic Name: 4-[3,4-dimethyl-5-(3-oxidanylidenebutyl)-1H-pyrrol-2-yl]butan-2-one Openeye Name: 4-[3,4-dimethyl-5-(3-oxobutyl)-1H-pyrrol-2-yl]butan-2-one CAS Name: 4-[3,4-dimethyl-5-(3-oxobutyl)-1H-pyrrol-2-yl]-2-butanone IUPAC Name: 4-[3,4-dimethyl-5-(3-oxobutyl)-1H-pyrrol-2-yl]butan-2-one Traditional Name: 4-[5-(3-ketobutyl)-3,4-dimethyl-1H-pyrrol-2-yl]butan-2-one Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C)CCC(=O)C)CCC(=O)C

Isomeric SMILES

CC1=C(NC(=C1C)CCC(=O)C)CCC(=O)C

InChI

InChI=1S/C14H21NO2/c1-9(16)5-7-13-11(3)12(4)14(15-13)8-6-10(2)17/h15H,5-8H2,1-4H3