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

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enoic acid Openeye Name: (E)-2-cyano-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enoic acid Traditional Name: (E)-2-cyano-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)C=C(C#N)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C16H18N4O2/c1-10(2)20-15(5-6-18-20)19-11(3)7-13(12(19)4)8-14(9-17)16(21)22/h5-8,10H,1-4H3,(H,21,22)/b14-8+