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

Systemtic Name: methyl 3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C15H16N4O5S MolecularWeight: 364.37634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)C1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H16N4O5S/c1-15(2,3)13-17-18-14(25-13)16-11(20)8-5-9(12(21)24-4)7-10(6-8)19(22)23/h5-7H,1-4H3,(H,16,18,20)