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

Systemtic Name: 2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid Openeye Name: 2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid CAS Name: 2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid IUPAC Name: 2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid Traditional Name: 2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C=C(C#N)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C=C(C#N)C(=O)O

InChI

InChI=1S/C13H16N2O3/c1-9-6-11(7-12(8-14)13(16)17)10(2)15(9)4-5-18-3/h6-7H,4-5H2,1-3H3,(H,16,17)