methyl 3-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C14H14N4O6S MolecularWeight: 366.34916

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCOCC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H14N4O6S/c1-3-24-7-11-16-17-14(25-11)15-12(19)8-4-9(13(20)23-2)6-10(5-8)18(21)22/h4-6H,3,7H2,1-2H3,(H,15,17,19)