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

Systemtic Name: 4-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate Openeye Name: 4-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate CAS Name: 4-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate IUPAC Name: 4-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate Traditional Name: 4-[(5-nitrobenzofurazan-4-yl)amino]benzoate Formula: C13H7N4O5- MolecularWeight: 299.21848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC2=C(C=CC3=NON=C32)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC2=C(C=CC3=NON=C32)[N+](=O)[O-]

InChI

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