4,5-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide Formula: C13H14N4O6S MolecularWeight: 354.33846

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

COCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C13H14N4O6S/c1-21-6-11-15-16-13(24-11)14-12(18)7-4-9(22-2)10(23-3)5-8(7)17(19)20/h4-5H,6H2,1-3H3,(H,14,16,18)