[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester Formula: C17H16ClN3O7S MolecularWeight: 441.84284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)S(=O)(=O)N

InChI

InChI=1S/C17H16ClN3O7S/c18-15-6-3-12(21(24)25)9-14(15)17(23)28-10-16(22)20-8-7-11-1-4-13(5-2-11)29(19,26)27/h1-6,9H,7-8,10H2,(H,20,22)(H2,19,26,27)