3,5-dinitro-4-[(4-sulfamoylphenyl)amino]benzoate

Systemtic Name: 3,5-dinitro-4-[(4-sulfamoylphenyl)amino]benzoate Openeye Name: 3,5-dinitro-4-(4-sulfamoylanilino)benzoate CAS Name: 3,5-dinitro-4-(4-sulfamoylanilino)benzoate IUPAC Name: 3,5-dinitro-4-(4-sulfamoylanilino)benzoate Traditional Name: 3,5-dinitro-4-(4-sulfamoylanilino)benzoate Formula: C13H9N4O8S- MolecularWeight: 381.29756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C13H10N4O8S/c14-26(24,25)9-3-1-8(2-4-9)15-12-10(16(20)21)5-7(13(18)19)6-11(12)17(22)23/h1-6,15H,(H,18,19)(H2,14,24,25)/p-1