dimethyl 4-[3-[(4-cyano-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-[3-[(4-cyano-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-[3-[(4-cyano-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-[(4-cyano-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[3-[(4-cyano-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-[(4-cyano-2-oxido-furazan-2-ium-3-yl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C21H20N4O7 MolecularWeight: 440.4061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)OCC3=[N+](ON=C3C#N)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)OCC3=[N+](ON=C3C#N)[O-])C(=O)OC

InChI

InChI=1S/C21H20N4O7/c1-11-17(20(26)29-3)19(18(12(2)23-11)21(27)30-4)13-6-5-7-14(8-13)31-10-16-15(9-22)24-32-25(16)28/h5-8,19,23H,10H2,1-4H3