3-[(7-chloranyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid

Systemtic Name: 3-[(7-chloranyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid Openeye Name: 3-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid CAS Name: 3-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid IUPAC Name: 3-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid Traditional Name: 3-[(7-chloro-4-nitro-benzofurazan-5-yl)amino]benzoic acid Formula: C13H7ClN4O5 MolecularWeight: 334.67148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C3=NON=C3C(=C2)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C3=NON=C3C(=C2)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H7ClN4O5/c14-8-5-9(12(18(21)22)11-10(8)16-23-17-11)15-7-3-1-2-6(4-7)13(19)20/h1-5,15H,(H,19,20)