3-sulfanylpropyl 4-[2,3-bis(chloranyl)phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 3-sulfanylpropyl 4-[2,3-bis(chloranyl)phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: 3-sulfanylpropyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid 3-mercaptopropyl ester IUPAC Name: 3-sulfanylpropyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid 3-mercaptopropyl ester Formula: C17H18Cl2N2O4S MolecularWeight: 417.30682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=C(C(=CC=C2)Cl)Cl)C(=O)OCCCS

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=C(C(=CC=C2)Cl)Cl)C(=O)OCCCS

InChI

InChI=1S/C17H18Cl2N2O4S/c1-9-13(17(22)25-7-4-8-26)14(16(21(23)24)10(2)20-9)11-5-3-6-12(18)15(11)19/h3,5-6,14,20,26H,4,7-8H2,1-2H3