2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoic acid

Systemtic Name: 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoic acid Openeye Name: 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoic acid CAS Name: 2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid IUPAC Name: 2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoic acid Traditional Name: 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)O)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)O)C

InChI

InChI=1S/C13H16N2O2/c1-4-5-15-9(2)6-11(10(15)3)7-12(8-14)13(16)17/h6-7H,4-5H2,1-3H3,(H,16,17)