3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoate

Systemtic Name: 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoate Openeye Name: 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoate CAS Name: 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoate IUPAC Name: 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoate Traditional Name: 3-[(7-nitrobenzofurazan-4-yl)amino]benzoate Formula: C13H7N4O5- MolecularWeight: 299.21848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=CC=C(C3=NON=C23)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC2=CC=C(C3=NON=C23)[N+](=O)[O-])C(=O)[O-]

InChI

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