methyl 2-[5-(3-nitropropyl)-1,3,4-thiadiazol-2-yl]ethanoate

Systemtic Name: methyl 2-[5-(3-nitropropyl)-1,3,4-thiadiazol-2-yl]ethanoate Openeye Name: methyl 2-[5-(3-nitropropyl)-1,3,4-thiadiazol-2-yl]acetate CAS Name: 2-[5-(3-nitropropyl)-1,3,4-thiadiazol-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(3-nitropropyl)-1,3,4-thiadiazol-2-yl]acetate Traditional Name: 2-[5-(3-nitropropyl)-1,3,4-thiadiazol-2-yl]acetic acid methyl ester Formula: C8H11N3O4S MolecularWeight: 245.25564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N3O4S/c1-15-8(12)5-7-10-9-6(16-7)3-2-4-11(13)14/h2-5H2,1H3