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

Systemtic Name: methyl 2-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]ethanoate Openeye Name: methyl 2-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetate CAS Name: 2-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetate Traditional Name: 2-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetic acid methyl ester Formula: C11H9N3O4S MolecularWeight: 279.27186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N3O4S/c1-18-10(15)6-9-12-13-11(19-9)7-2-4-8(5-3-7)14(16)17/h2-5H,6H2,1H3