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

Systemtic Name: 3-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoic acid Openeye Name: 3-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoic acid CAS Name: 3-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoic acid IUPAC Name: 3-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoic acid Traditional Name: 3-[(5-nitrobenzofurazan-4-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(C=CC3=NON=C32)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C=CC3=NON=C32)[N+](=O)[O-])C(=O)O

InChI

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