5-(acetyloxymethyl)-4-(3-methoxy-3-oxidanylidene-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-(acetyloxymethyl)-4-(3-methoxy-3-oxidanylidene-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid Openeye Name: 5-(acetoxymethyl)-4-(3-methoxy-3-oxo-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 5-(acetyloxymethyl)-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-(acetyloxymethyl)-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-(acetoxymethyl)-4-(3-keto-3-methoxy-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6/c1-7-9(4-5-11(16)19-3)10(6-20-8(2)15)14-12(7)13(17)18/h14H,4-6H2,1-3H3,(H,17,18)