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

Systemtic Name: 2-cyano-3-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]prop-2-enoic acid Openeye Name: 2-cyano-3-[2,5-dimethyl-1-(o-tolyl)pyrrol-3-yl]prop-2-enoic acid CAS Name: 2-cyano-3-[2,5-dimethyl-1-(2-methylphenyl)-3-pyrrolyl]-2-propenoic acid IUPAC Name: 2-cyano-3-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]prop-2-enoic acid Traditional Name: 2-cyano-3-[2,5-dimethyl-1-(o-tolyl)pyrrol-3-yl]acrylic acid Formula: C17H16N2O2 MolecularWeight: 280.32114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=C2C)C=C(C#N)C(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=C2C)C=C(C#N)C(=O)O)C

InChI

InChI=1S/C17H16N2O2/c1-11-6-4-5-7-16(11)19-12(2)8-14(13(19)3)9-15(10-18)17(20)21/h4-9H,1-3H3,(H,20,21)