(E)-3-[3-(4-methylphenyl)carbonylpyrrol-1-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(4-methylphenyl)carbonylpyrrol-1-yl]prop-2-enoic acid Openeye Name: (E)-3-[3-(4-methylbenzoyl)pyrrol-1-yl]prop-2-enoic acid CAS Name: (E)-3-[3-[(4-methylphenyl)-oxomethyl]-1-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(4-methylbenzoyl)pyrrol-1-yl]prop-2-enoic acid Traditional Name: (E)-3-(3-p-toluoylpyrrol-1-yl)acrylic acid Formula: C15H13NO3 MolecularWeight: 255.26862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CN(C=C2)C=CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CN(C=C2)/C=C/C(=O)O

InChI

InChI=1S/C15H13NO3/c1-11-2-4-12(5-3-11)15(19)13-6-8-16(10-13)9-7-14(17)18/h2-10H,1H3,(H,17,18)/b9-7+