methyl 5-nitro-2-(pyridin-3-yldiazenyl)benzoate

Systemtic Name: methyl 5-nitro-2-(pyridin-3-yldiazenyl)benzoate Openeye Name: methyl 5-nitro-2-(3-pyridylazo)benzoate CAS Name: 5-nitro-2-(3-pyridinylazo)benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-(pyridin-3-yldiazenyl)benzoate Traditional Name: 5-nitro-2-(3-pyridylazo)benzoic acid methyl ester Formula: C13H10N4O4 MolecularWeight: 286.2429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N=NC2=CN=CC=C2

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N=NC2=CN=CC=C2

InChI

InChI=1S/C13H10N4O4/c1-21-13(18)11-7-10(17(19)20)4-5-12(11)16-15-9-3-2-6-14-8-9/h2-8H,1H3