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

Systemtic Name: methyl 3-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C13H12N4O6S MolecularWeight: 352.32258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O6S/c1-22-6-10-15-16-13(24-10)14-11(18)7-3-8(12(19)23-2)5-9(4-7)17(20)21/h3-5H,6H2,1-2H3,(H,14,16,18)