ethyl 4-(2-bromanyl-3-methyl-butanoyl)-5-(chloromethyl)-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(2-bromanyl-3-methyl-butanoyl)-5-(chloromethyl)-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(2-bromo-3-methyl-butanoyl)-5-(chloromethyl)-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 4-(2-bromo-3-methyl-1-oxobutyl)-5-(chloromethyl)-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-bromo-3-methylbutanoyl)-5-(chloromethyl)-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(2-bromo-3-methyl-butanoyl)-5-(chloromethyl)-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C14H19BrClNO3 MolecularWeight: 364.66256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)CCl)C(=O)C(C(C)C)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)CCl)C(=O)C(C(C)C)Br)C

InChI

InChI=1S/C14H19BrClNO3/c1-5-20-14(19)12-8(4)10(9(6-16)17-12)13(18)11(15)7(2)3/h7,11,17H,5-6H2,1-4H3