ethyl 3,5-dimethyl-4-(4-oxidanylidenebutanoyl)-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-(4-oxidanylidenebutanoyl)-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-(4-oxobutanoyl)-1H-pyrrole-2-carboxylate CAS Name: 4-(1,4-dioxobutyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-(4-oxobutanoyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-ketobutanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-4-18-13(17)12-8(2)11(9(3)14-12)10(16)6-5-7-15/h7,14H,4-6H2,1-3H3