2-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]benzoic acid

Systemtic Name: 2-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]benzoic acid Openeye Name: 2-[3-(4-nitrophenyl)isoxazol-5-yl]benzoic acid CAS Name: 2-[3-(4-nitrophenyl)-5-isoxazolyl]benzoic acid IUPAC Name: 2-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]benzoic acid Traditional Name: 2-[3-(4-nitrophenyl)isoxazol-5-yl]benzoic acid Formula: C16H10N2O5 MolecularWeight: 310.261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H10N2O5/c19-16(20)13-4-2-1-3-12(13)15-9-14(17-23-15)10-5-7-11(8-6-10)18(21)22/h1-9H,(H,19,20)