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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C=C(C#N)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)/C=C(\C#N)/C(=O)O)C

InChI

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