[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C18H20N4O8S MolecularWeight: 452.4384

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N

InChI

InChI=1S/C18H20N4O8S/c1-29-8-7-20-16-6-5-13(22(25)26)10-15(16)18(24)30-11-17(23)21-12-3-2-4-14(9-12)31(19,27)28/h2-6,9-10,20H,7-8,11H2,1H3,(H,21,23)(H2,19,27,28)