ethyl 5-(bromomethyl)-3-methyl-4-propanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 5-(bromomethyl)-3-methyl-4-propanoyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 5-(bromomethyl)-3-methyl-4-propanoyl-1H-pyrrole-2-carboxylate CAS Name: 5-(bromomethyl)-3-methyl-4-(1-oxopropyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(bromomethyl)-3-methyl-4-propanoyl-1H-pyrrole-2-carboxylate Traditional Name: 5-(bromomethyl)-3-methyl-4-propionyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C12H16BrNO3 MolecularWeight: 302.16434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(NC(=C1C)C(=O)OCC)CBr

Isomeric SMILES

CCC(=O)C1=C(NC(=C1C)C(=O)OCC)CBr

InChI

InChI=1S/C12H16BrNO3/c1-4-9(15)10-7(3)11(12(16)17-5-2)14-8(10)6-13/h14H,4-6H2,1-3H3