methyl 4-[[6-(4-bromanylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-(4-bromanylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(4-bromophenoxy)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(4-bromophenoxy)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C18H13BrN4O5 MolecularWeight: 445.22362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrN4O5/c1-27-18(24)11-2-6-13(7-3-11)22-16-15(23(25)26)17(21-10-20-16)28-14-8-4-12(19)5-9-14/h2-10H,1H3,(H,20,21,22)