2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: 2-(4,5-diphenyloxazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4,5-diphenyl-2-oxazolyl)thio]-5-nitrobenzoate IUPAC Name: 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4,5-diphenyloxazol-2-yl)thio]-5-nitro-benzoate Formula: C22H13N2O5S- MolecularWeight: 417.41402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H14N2O5S/c25-21(26)17-13-16(24(27)28)11-12-18(17)30-22-23-19(14-7-3-1-4-8-14)20(29-22)15-9-5-2-6-10-15/h1-13H,(H,25,26)/p-1