(2E)-2-(methoxymethylidene)-4,4-dimethyl-5-(6-nitroindazol-1-yl)-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-(methoxymethylidene)-4,4-dimethyl-5-(6-nitroindazol-1-yl)-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-(methoxymethylene)-4,4-dimethyl-5-(6-nitroindazol-1-yl)-3-oxo-pentanenitrile CAS Name: (2E)-2-(methoxymethylidene)-4,4-dimethyl-5-(6-nitro-1-indazolyl)-3-oxopentanenitrile IUPAC Name: (2E)-2-(methoxymethylidene)-4,4-dimethyl-5-(6-nitroindazol-1-yl)-3-oxopentanenitrile Traditional Name: (E)-2-[2,2-dimethyl-3-(6-nitroindazol-1-yl)propanoyl]-3-methoxy-acrylonitrile Formula: C16H16N4O4 MolecularWeight: 328.32264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C2=C(C=CC(=C2)[N+](=O)[O-])C=N1)C(=O)C(=COC)C#N

Isomeric SMILES

CC(C)(CN1C2=C(C=CC(=C2)[N+](=O)[O-])C=N1)C(=O)/C(=C/OC)/C#N

InChI

InChI=1S/C16H16N4O4/c1-16(2,15(21)12(7-17)9-24-3)10-19-14-6-13(20(22)23)5-4-11(14)8-18-19/h4-6,8-9H,10H2,1-3H3/b12-9+