3-bromanyl-4-(4-hydroxyphenyl)-5-nitro-benzoate

Systemtic Name: 3-bromanyl-4-(4-hydroxyphenyl)-5-nitro-benzoate Openeye Name: 3-bromo-4-(4-hydroxyphenyl)-5-nitro-benzoate CAS Name: 3-bromo-4-(4-hydroxyphenyl)-5-nitrobenzoate IUPAC Name: 3-bromo-4-(4-hydroxyphenyl)-5-nitrobenzoate Traditional Name: 3-bromo-4-(4-hydroxyphenyl)-5-nitro-benzoate Formula: C13H7BrNO5- MolecularWeight: 337.10238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=C(C=C2Br)C(=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=C(C=C2Br)C(=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C13H8BrNO5/c14-10-5-8(13(17)18)6-11(15(19)20)12(10)7-1-3-9(16)4-2-7/h1-6,16H,(H,17,18)/p-1