3-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate

Systemtic Name: 3-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate Openeye Name: 3-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate CAS Name: 3-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate IUPAC Name: 3-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzoate Traditional Name: 3-[(5,7-dinitrobenzofurazan-4-yl)amino]benzoate Formula: C13H6N5O7- MolecularWeight: 344.21604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7N5O7/c19-13(20)6-2-1-3-7(4-6)14-10-8(17(21)22)5-9(18(23)24)11-12(10)16-25-15-11/h1-5,14H,(H,19,20)/p-1