3-chloranyl-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3-chloranyl-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid Openeye Name: 3-chloro-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-chloro-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-chloro-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-carbethoxy-3-chloro-4-methyl-1H-pyrrole-2-carboxylic acid Formula: C9H10ClNO4 MolecularWeight: 231.633

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10ClNO4/c1-3-15-9(14)6-4(2)5(10)7(11-6)8(12)13/h11H,3H2,1-2H3,(H,12,13)