(E)-3-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[1-(3-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid Formula: C15H14ClNO2 MolecularWeight: 275.73016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)C=CC(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)/C=C/C(=O)O

InChI

InChI=1S/C15H14ClNO2/c1-10-8-12(6-7-15(18)19)11(2)17(10)14-5-3-4-13(16)9-14/h3-9H,1-2H3,(H,18,19)/b7-6+