4-(3-ethoxy-3-oxidanylidene-propyl)-3-ethyl-5-methanoyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(3-ethoxy-3-oxidanylidene-propyl)-3-ethyl-5-methanoyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(3-ethoxy-3-oxo-propyl)-3-ethyl-5-formyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-(3-ethoxy-3-oxopropyl)-3-ethyl-5-formyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(3-ethoxy-3-oxopropyl)-3-ethyl-5-formyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(3-ethoxy-3-keto-propyl)-3-ethyl-5-formyl-1H-pyrrole-2-carboxylic acid Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1CCC(=O)OCC)C=O)C(=O)O

Isomeric SMILES

CCC1=C(NC(=C1CCC(=O)OCC)C=O)C(=O)O

InChI

InChI=1S/C13H17NO5/c1-3-8-9(5-6-11(16)19-4-2)10(7-15)14-12(8)13(17)18/h7,14H,3-6H2,1-2H3,(H,17,18)