2-[[4-(2-carboxyethyl)-3-methyl-1H-pyrrol-2-yl]methylidene]propanedioic acid

Systemtic Name: 2-[[4-(2-carboxyethyl)-3-methyl-1H-pyrrol-2-yl]methylidene]propanedioic acid Openeye Name: 2-[[4-(2-carboxyethyl)-3-methyl-1H-pyrrol-2-yl]methylene]propanedioic acid CAS Name: 2-[[4-(2-carboxyethyl)-3-methyl-1H-pyrrol-2-yl]methylidene]propanedioic acid IUPAC Name: 2-[[4-(2-carboxyethyl)-3-methyl-1H-pyrrol-2-yl]methylidene]propanedioic acid Traditional Name: 2-[[4-(2-carboxyethyl)-3-methyl-1H-pyrrol-2-yl]methylene]malonic acid Formula: C12H13NO6 MolecularWeight: 267.23472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6/c1-6-7(2-3-10(14)15)5-13-9(6)4-8(11(16)17)12(18)19/h4-5,13H,2-3H2,1H3,(H,14,15)(H,16,17)(H,18,19)