(5-phenyl-1,2-oxazol-3-yl)methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C18H14N2O5S MolecularWeight: 370.37916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O5S/c1-26-17-8-7-13(9-15(17)20(22)23)18(21)24-11-14-10-16(25-19-14)12-5-3-2-4-6-12/h2-10H,11H2,1H3