methyl 2,6-dimethyl-5-nitro-4-[2-[(3-nitrophenyl)methylsulfanyl]phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 2,6-dimethyl-5-nitro-4-[2-[(3-nitrophenyl)methylsulfanyl]phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 2,6-dimethyl-5-nitro-4-[2-[(3-nitrophenyl)methylsulfanyl]phenyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-[2-[(3-nitrophenyl)methylthio]phenyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2,6-dimethyl-5-nitro-4-[2-[(3-nitrophenyl)methylsulfanyl]phenyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-nitro-4-[2-[(3-nitrobenzyl)thio]phenyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C22H21N3O6S MolecularWeight: 455.48364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H21N3O6S/c1-13-19(22(26)31-3)20(21(25(29)30)14(2)23-13)17-9-4-5-10-18(17)32-12-15-7-6-8-16(11-15)24(27)28/h4-11,20,23H,12H2,1-3H3