N-[5-(2-methoxy-2-oxidanylidene-ethyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzenecarboximidate

Systemtic Name: N-[5-(2-methoxy-2-oxidanylidene-ethyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzenecarboximidate Openeye Name: N-[5-(2-methoxy-2-oxo-ethyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzenecarboximidate CAS Name: N-[5-(2-methoxy-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzenecarboximidate IUPAC Name: N-[5-(2-methoxy-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzenecarboximidate Traditional Name: N-[5-(2-keto-2-methoxy-ethyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzenecarboximidate Formula: C12H9N4O5S- MolecularWeight: 321.28866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NN=C(S1)N=C(C2=CC(=CC=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

COC(=O)CC1=NN=C(S1)N=C(C2=CC(=CC=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H10N4O5S/c1-21-10(17)6-9-14-15-12(22-9)13-11(18)7-3-2-4-8(5-7)16(19)20/h2-5H,6H2,1H3,(H,13,15,18)/p-1