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

Systemtic Name: (E)-3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid Openeye Name: (E)-3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid CAS Name: (E)-3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-propenoic acid IUPAC Name: (E)-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)acrylic acid Formula: C12H15NO4 MolecularWeight: 237.2518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C=CC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)/C=C/C(=O)O)C

InChI

InChI=1S/C12H15NO4/c1-4-17-12(16)11-7(2)9(8(3)13-11)5-6-10(14)15/h5-6,13H,4H2,1-3H3,(H,14,15)/b6-5+