4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitro-benzoic acid

Systemtic Name: 4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitro-benzoic acid Openeye Name: 4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitro-benzoic acid CAS Name: 4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]-3-nitrobenzoic acid IUPAC Name: 4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitrobenzoic acid Traditional Name: 4-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]-3-nitro-benzoic acid Formula: C15H8BrN3O5S MolecularWeight: 422.21012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NN=C(O2)SC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NN=C(O2)SC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H8BrN3O5S/c16-10-3-1-2-8(6-10)13-17-18-15(24-13)25-12-5-4-9(14(20)21)7-11(12)19(22)23/h1-7H,(H,20,21)