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

Systemtic Name: 3-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoic acid Openeye Name: 3-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoic acid CAS Name: 3-[1-(3-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-cyano-2-propenoic acid IUPAC Name: 3-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoic acid Traditional Name: 3-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-acrylic acid Formula: C16H13ClN2O2 MolecularWeight: 300.73962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O2/c1-10-6-12(7-13(9-18)16(20)21)11(2)19(10)15-5-3-4-14(17)8-15/h3-8H,1-2H3,(H,20,21)