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

Systemtic Name: ethyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid ethyl ester Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(N(C(=C1)C)C2=CC=NN2C(C)C)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(N(C(=C1)C)C2=CC=NN2C(C)C)C)/C#N

InChI

InChI=1S/C18H22N4O2/c1-6-24-18(23)16(11-19)10-15-9-13(4)21(14(15)5)17-7-8-20-22(17)12(2)3/h7-10,12H,6H2,1-5H3/b16-10+