(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C21H12ClN3O6S MolecularWeight: 469.85448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC3=NN=C(O3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC3=NN=C(O3)C4=CC=CS4

InChI

InChI=1S/C21H12ClN3O6S/c22-15-8-7-12(10-16(15)25(28)29)19(26)13-4-1-2-5-14(13)21(27)30-11-18-23-24-20(31-18)17-6-3-9-32-17/h1-10H,11H2