methyl 2-[5-(4-bromophenyl)carbonyl-3-chloranyl-1-methyl-pyrrol-2-yl]butanoate

Systemtic Name: methyl 2-[5-(4-bromophenyl)carbonyl-3-chloranyl-1-methyl-pyrrol-2-yl]butanoate Openeye Name: methyl 2-[5-(4-bromobenzoyl)-3-chloro-1-methyl-pyrrol-2-yl]butanoate CAS Name: 2-[5-[(4-bromophenyl)-oxomethyl]-3-chloro-1-methyl-2-pyrrolyl]butanoic acid methyl ester IUPAC Name: methyl 2-[5-(4-bromobenzoyl)-3-chloro-1-methylpyrrol-2-yl]butanoate Traditional Name: 2-[5-(4-bromobenzoyl)-3-chloro-1-methyl-pyrrol-2-yl]butyric acid methyl ester Formula: C17H17BrClNO3 MolecularWeight: 398.67878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=C(N1C)C(=O)C2=CC=C(C=C2)Br)Cl)C(=O)OC

Isomeric SMILES

CCC(C1=C(C=C(N1C)C(=O)C2=CC=C(C=C2)Br)Cl)C(=O)OC

InChI

InChI=1S/C17H17BrClNO3/c1-4-12(17(22)23-3)15-13(19)9-14(20(15)2)16(21)10-5-7-11(18)8-6-10/h5-9,12H,4H2,1-3H3