methyl 5-[2-(4-bromanyl-3-nitro-phenyl)carbonyloxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-(4-bromanyl-3-nitro-phenyl)carbonyloxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(4-bromo-3-nitro-benzoyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(4-bromo-3-nitrophenyl)-oxomethoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(4-bromo-3-nitrobenzoyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(4-bromo-3-nitro-benzoyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H15BrN2O7 MolecularWeight: 439.2142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H15BrN2O7/c1-8-14(17(23)26-3)9(2)19-15(8)13(21)7-27-16(22)10-4-5-11(18)12(6-10)20(24)25/h4-6,19H,7H2,1-3H3