methyl 2-[5-(4-bromophenyl)carbonyl-1-methyl-pyrrol-2-yl]ethanoate

Systemtic Name: methyl 2-[5-(4-bromophenyl)carbonyl-1-methyl-pyrrol-2-yl]ethanoate Openeye Name: methyl 2-[5-(4-bromobenzoyl)-1-methyl-pyrrol-2-yl]acetate CAS Name: 2-[5-[(4-bromophenyl)-oxomethyl]-1-methyl-2-pyrrolyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(4-bromobenzoyl)-1-methylpyrrol-2-yl]acetate Traditional Name: 2-[5-(4-bromobenzoyl)-1-methyl-pyrrol-2-yl]acetic acid methyl ester Formula: C15H14BrNO3 MolecularWeight: 336.18056

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C(=O)C2=CC=C(C=C2)Br)CC(=O)OC

Isomeric SMILES

CN1C(=CC=C1C(=O)C2=CC=C(C=C2)Br)CC(=O)OC

InChI

InChI=1S/C15H14BrNO3/c1-17-12(9-14(18)20-2)7-8-13(17)15(19)10-3-5-11(16)6-4-10/h3-8H,9H2,1-2H3