(E)-3-(5-ethoxycarbonyl-2-ethyl-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(5-ethoxycarbonyl-2-ethyl-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid Openeye Name: (E)-3-(5-ethoxycarbonyl-2-ethyl-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid CAS Name: (E)-3-(5-ethoxycarbonyl-2-ethyl-4-methyl-1H-pyrrol-3-yl)-2-propenoic acid IUPAC Name: (E)-3-(5-ethoxycarbonyl-2-ethyl-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid Traditional Name: (E)-3-(5-carbethoxy-2-ethyl-4-methyl-1H-pyrrol-3-yl)acrylic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)OCC)C)C=CC(=O)O

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)OCC)C)/C=C/C(=O)O

InChI

InChI=1S/C13H17NO4/c1-4-10-9(6-7-11(15)16)8(3)12(14-10)13(17)18-5-2/h6-7,14H,4-5H2,1-3H3,(H,15,16)/b7-6+