methyl 2,6-dimethyl-5-methylsulfonyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 2,6-dimethyl-5-methylsulfonyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 2,6-dimethyl-5-methylsulfonyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-methylsulfonyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2,6-dimethyl-5-methylsulfonyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-mesyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C16H18N2O6S MolecularWeight: 366.38892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6S/c1-9-13(16(19)24-3)14(15(10(2)17-9)25(4,22)23)11-7-5-6-8-12(11)18(20)21/h5-8,14,17H,1-4H3