(E)-3-[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]-2-cyano-prop-2-enoic acid CAS Name: (E)-3-[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]-2-cyano-2-propenoic acid IUPAC Name: (E)-3-[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]-2-cyano-acrylic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)O)C)C=C(C#N)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)O)C)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C13H14N2O4/c1-7-10(3-4-12(16)17)8(2)15-11(7)5-9(6-14)13(18)19/h5,15H,3-4H2,1-2H3,(H,16,17)(H,18,19)/b9-5+