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

Systemtic Name: (E)-3-(5-ethoxycarbonyl-1-methyl-pyrrol-3-yl)prop-2-enoic acid Openeye Name: (E)-3-(5-ethoxycarbonyl-1-methyl-pyrrol-3-yl)prop-2-enoic acid CAS Name: (E)-3-(5-ethoxycarbonyl-1-methyl-3-pyrrolyl)-2-propenoic acid IUPAC Name: (E)-3-(5-ethoxycarbonyl-1-methylpyrrol-3-yl)prop-2-enoic acid Traditional Name: (E)-3-(5-carbethoxy-1-methyl-pyrrol-3-yl)acrylic acid Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN1C)C=CC(=O)O

Isomeric SMILES

CCOC(=O)C1=CC(=CN1C)/C=C/C(=O)O

InChI

InChI=1S/C11H13NO4/c1-3-16-11(15)9-6-8(7-12(9)2)4-5-10(13)14/h4-7H,3H2,1-2H3,(H,13,14)/b5-4+