4-[[6-(4-bromanylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-(4-bromanylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(4-bromophenoxy)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(4-bromophenoxy)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C17H11BrN4O5 MolecularWeight: 431.19704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H11BrN4O5/c18-11-3-7-13(8-4-11)27-16-14(22(25)26)15(19-9-20-16)21-12-5-1-10(2-6-12)17(23)24/h1-9H,(H,23,24)(H,19,20,21)