2,6-dimethyl-4-(3-methyl-2-sulfanyl-phenyl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-(3-methyl-2-sulfanyl-phenyl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2,6-dimethyl-4-(3-methyl-2-sulfanyl-phenyl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(2-mercapto-3-methylphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-4-(3-methyl-2-sulfanylphenyl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-(2-mercapto-3-methyl-phenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1S)C2C(=C(NC(=C2[N+](=O)[O-])C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1S)C2C(=C(NC(=C2[N+](=O)[O-])C)C)C(=O)O

InChI

InChI=1S/C15H16N2O4S/c1-7-5-4-6-10(14(7)22)12-11(15(18)19)8(2)16-9(3)13(12)17(20)21/h4-6,12,16,22H,1-3H3,(H,18,19)