3-nitro-4-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzaldehyde

Systemtic Name: 3-nitro-4-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzaldehyde Openeye Name: 3-nitro-4-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzaldehyde CAS Name: 3-nitro-4-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio]benzaldehyde IUPAC Name: 3-nitro-4-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzaldehyde Traditional Name: 3-nitro-4-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio]benzaldehyde Formula: C16H11N3O5S MolecularWeight: 357.34064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NN=C(O2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NN=C(O2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O5S/c20-9-11-6-7-14(13(8-11)19(21)22)25-16-18-17-15(24-16)10-23-12-4-2-1-3-5-12/h1-9H,10H2