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

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]prop-2-enoic acid Openeye Name: (E)-2-cyano-3-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]prop-2-enoic acid CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]prop-2-enoic acid Traditional Name: (E)-2-cyano-3-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]acrylic acid Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C=C(C#N)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1CC2CCCO2)C)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C15H18N2O3/c1-10-6-12(7-13(8-16)15(18)19)11(2)17(10)9-14-4-3-5-20-14/h6-7,14H,3-5,9H2,1-2H3,(H,18,19)/b13-7+