4-(2-bromanyl-4-methoxy-phenyl)-2-nitro-3,5-bis(trifluoromethyl)-1H-pyrrole

Systemtic Name: 4-(2-bromanyl-4-methoxy-phenyl)-2-nitro-3,5-bis(trifluoromethyl)-1H-pyrrole Openeye Name: 4-(2-bromo-4-methoxy-phenyl)-2-nitro-3,5-bis(trifluoromethyl)-1H-pyrrole CAS Name: 4-(2-bromo-4-methoxyphenyl)-2-nitro-3,5-bis(trifluoromethyl)-1H-pyrrole IUPAC Name: 4-(2-bromo-4-methoxyphenyl)-2-nitro-3,5-bis(trifluoromethyl)-1H-pyrrole Traditional Name: 4-(2-bromo-4-methoxy-phenyl)-2-nitro-3,5-bis(trifluoromethyl)-1H-pyrrole Formula: C13H7BrF6N2O3 MolecularWeight: 433.100699

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(NC(=C2C(F)(F)F)[N+](=O)[O-])C(F)(F)F)Br

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(NC(=C2C(F)(F)F)[N+](=O)[O-])C(F)(F)F)Br

InChI

InChI=1S/C13H7BrF6N2O3/c1-25-5-2-3-6(7(14)4-5)8-9(12(15,16)17)11(22(23)24)21-10(8)13(18,19)20/h2-4,21H,1H3