[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 4-(ethylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 4-(ethylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(ethylamino)-3-nitro-benzoate CAS Name: 4-(ethylamino)-3-nitrobenzoic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(ethylamino)-3-nitrobenzoate Traditional Name: 4-(ethylamino)-3-nitro-benzoic acid [2-keto-2-(4-sulfamoylanilino)ethyl] ester Formula: C17H18N4O7S MolecularWeight: 422.41242

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O7S/c1-2-19-14-8-3-11(9-15(14)21(24)25)17(23)28-10-16(22)20-12-4-6-13(7-5-12)29(18,26)27/h3-9,19H,2,10H2,1H3,(H,20,22)(H2,18,26,27)