methyl 2-[[4-nitro-5-(pyridin-2-ylamino)-2,1,3-benzoxadiazol-7-yl]amino]ethanoate

Systemtic Name: methyl 2-[[4-nitro-5-(pyridin-2-ylamino)-2,1,3-benzoxadiazol-7-yl]amino]ethanoate Openeye Name: methyl 2-[[4-nitro-5-(2-pyridylamino)-2,1,3-benzoxadiazol-7-yl]amino]acetate CAS Name: 2-[[4-nitro-5-(2-pyridinylamino)-2,1,3-benzoxadiazol-7-yl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-nitro-5-(pyridin-2-ylamino)-2,1,3-benzoxadiazol-7-yl]amino]acetate Traditional Name: 2-[[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]amino]acetic acid methyl ester Formula: C14H12N6O5 MolecularWeight: 344.28228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=CC=CC=N3

Isomeric SMILES

COC(=O)CNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=CC=CC=N3

InChI

InChI=1S/C14H12N6O5/c1-24-11(21)7-16-8-6-9(17-10-4-2-3-5-15-10)14(20(22)23)13-12(8)18-25-19-13/h2-6,16H,7H2,1H3,(H,15,17)