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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H16N4O5S/c1-3-4-5-12-17-18-15(25-12)16-13(20)9-6-10(14(21)24-2)8-11(7-9)19(22)23/h6-8H,3-5H2,1-2H3,(H,16,18,20)