2,6-dimethyl-4-(5-methylthiophen-2-yl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-(5-methylthiophen-2-yl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2,6-dimethyl-4-(5-methyl-2-thienyl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-4-(5-methyl-2-thiophenyl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-4-(5-methylthiophen-2-yl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2,6-dimethyl-4-(5-methyl-2-thienyl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2C(=C(NC(=C2[N+](=O)[O-])C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C2C(=C(NC(=C2[N+](=O)[O-])C)C)C(=O)O

InChI

InChI=1S/C13H14N2O4S/c1-6-4-5-9(20-6)11-10(13(16)17)7(2)14-8(3)12(11)15(18)19/h4-5,11,14H,1-3H3,(H,16,17)