ethyl 4-(4-methoxy-4-oxidanylidene-butyl)-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(4-methoxy-4-oxidanylidene-butyl)-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(4-methoxy-4-oxo-butyl)-1H-pyrrole-2-carboxylate CAS Name: 4-(4-methoxy-4-oxobutyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxy-4-oxobutyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-keto-4-methoxy-butyl)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN1)CCCC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CN1)CCCC(=O)OC

InChI

InChI=1S/C12H17NO4/c1-3-17-12(15)10-7-9(8-13-10)5-4-6-11(14)16-2/h7-8,13H,3-6H2,1-2H3