ethyl 5-(3-chloranyl-3-oxidanylidene-propyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)CCC(=O)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)CCC(=O)Cl)C

InChI

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