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

Systemtic Name: methyl 2-[[4-nitro-5-(pyridin-2-ylamino)-2,1,3-benzoxadiazol-7-yl]amino]benzoate Openeye Name: methyl 2-[[4-nitro-5-(2-pyridylamino)-2,1,3-benzoxadiazol-7-yl]amino]benzoate CAS Name: 2-[[4-nitro-5-(2-pyridinylamino)-2,1,3-benzoxadiazol-7-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-nitro-5-(pyridin-2-ylamino)-2,1,3-benzoxadiazol-7-yl]amino]benzoate Traditional Name: 2-[[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]amino]benzoic acid methyl ester Formula: C19H14N6O5 MolecularWeight: 406.35166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4

InChI

InChI=1S/C19H14N6O5/c1-29-19(26)11-6-2-3-7-12(11)21-13-10-14(22-15-8-4-5-9-20-15)18(25(27)28)17-16(13)23-30-24-17/h2-10,21H,1H3,(H,20,22)