4-methoxy-5-methoxycarbonyl-1-(4-oxidanyl-4-oxidanylidene-butyl)pyrrole-2-carboxylic acid

Systemtic Name: 4-methoxy-5-methoxycarbonyl-1-(4-oxidanyl-4-oxidanylidene-butyl)pyrrole-2-carboxylic acid Openeye Name: 1-(4-hydroxy-4-oxo-butyl)-4-methoxy-5-methoxycarbonyl-pyrrole-2-carboxylic acid CAS Name: 1-(4-hydroxy-4-oxobutyl)-4-methoxy-5-methoxycarbonyl-2-pyrrolecarboxylic acid IUPAC Name: 1-(4-hydroxy-4-oxobutyl)-4-methoxy-5-methoxycarbonylpyrrole-2-carboxylic acid Traditional Name: 5-carbomethoxy-1-(4-hydroxy-4-keto-butyl)-4-methoxy-pyrrole-2-carboxylic acid Formula: C12H15NO7 MolecularWeight: 285.25

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N(C(=C1)C(=O)O)CCCC(=O)O)C(=O)OC

Isomeric SMILES

COC1=C(N(C(=C1)C(=O)O)CCCC(=O)O)C(=O)OC

InChI

InChI=1S/C12H15NO7/c1-19-8-6-7(11(16)17)13(5-3-4-9(14)15)10(8)12(18)20-2/h6H,3-5H2,1-2H3,(H,14,15)(H,16,17)