4-[(4-chloranyl-3-sulfamoyl-phenyl)carbonyl-nitramido-amino]benzoic acid

Systemtic Name: 4-[(4-chloranyl-3-sulfamoyl-phenyl)carbonyl-nitramido-amino]benzoic acid Openeye Name: 4-[(4-chloro-3-sulfamoyl-benzoyl)-nitramido-amino]benzoic acid CAS Name: 4-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]-nitramidoamino]benzoic acid IUPAC Name: 4-[(4-chloro-3-sulfamoylbenzoyl)-nitramidoamino]benzoic acid Traditional Name: 4-[(4-chloro-3-sulfamoyl-benzoyl)-nitramido-amino]benzoic acid Formula: C14H11ClN4O7S MolecularWeight: 414.77774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N(C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)N[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N(C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)N[N+](=O)[O-]

InChI

InChI=1S/C14H11ClN4O7S/c15-11-6-3-9(7-12(11)27(16,25)26)13(20)18(17-19(23)24)10-4-1-8(2-5-10)14(21)22/h1-7,17H,(H,21,22)(H2,16,25,26)