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

Systemtic Name: 3-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid Openeye Name: 3-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid CAS Name: 3-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid IUPAC Name: 3-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid Traditional Name: 3-[(4-nitrobenzofurazan-5-yl)amino]benzoic acid Formula: C13H8N4O5 MolecularWeight: 300.22642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8N4O5/c18-13(19)7-2-1-3-8(6-7)14-10-5-4-9-11(16-22-15-9)12(10)17(20)21/h1-6,14H,(H,18,19)