ethanoic acid; (4-methylphenyl)-(3-methyl-1H-pyrrol-2-yl)methanone

Systemtic Name: ethanoic acid; (4-methylphenyl)-(3-methyl-1H-pyrrol-2-yl)methanone Openeye Name: acetic acid; (3-methyl-1H-pyrrol-2-yl)-(p-tolyl)methanone CAS Name: acetic acid; (4-methylphenyl)-(3-methyl-1H-pyrrol-2-yl)methanone IUPAC Name: acetic acid; (4-methylphenyl)-(3-methyl-1H-pyrrol-2-yl)methanone Traditional Name: acetic acid; (3-methyl-1H-pyrrol-2-yl)-(p-tolyl)methanone Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C=CN2)C.CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C=CN2)C.CC(=O)O

InChI

InChI=1S/C13H13NO.C2H4O2/c1-9-3-5-11(6-4-9)13(15)12-10(2)7-8-14-12;1-2(3)4/h3-8,14H,1-2H3;1H3,(H,3,4)