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

Systemtic Name: ethyl 4-(3-chloranylpropanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(3-chloropropanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(3-chloro-1-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloropropanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(3-chloropropanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C12H16ClNO3 MolecularWeight: 257.71334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClNO3/c1-4-17-12(16)11-7(2)10(8(3)14-11)9(15)5-6-13/h14H,4-6H2,1-3H3