[2-oxidanylidene-2-(1,3,4-thiadiazol-2-ylamino)ethyl] 4-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(1,3,4-thiadiazol-2-ylamino)ethyl] 4-nitrobenzoate Openeye Name: [2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-2-(1,3,4-thiadiazol-2-ylamino)ethyl] ester Formula: C11H8N4O5S MolecularWeight: 308.27002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NC2=NN=CS2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NC2=NN=CS2)[N+](=O)[O-]

InChI

InChI=1S/C11H8N4O5S/c16-9(13-11-14-12-6-21-11)5-20-10(17)7-1-3-8(4-2-7)15(18)19/h1-4,6H,5H2,(H,13,14,16)