[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C22H13ClN4O6S MolecularWeight: 496.87982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C22H13ClN4O6S/c23-15-9-8-12(10-18(15)27(31)32)21(29)13-4-1-2-5-14(13)22(30)33-11-19(28)24-16-6-3-7-17-20(16)26-34-25-17/h1-10H,11H2,(H,24,28)