2,6-dimethyl-4-[5-(nitromethyl)thiophen-2-yl]-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-dimethyl-4-[5-(nitromethyl)thiophen-2-yl]-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2,6-dimethyl-4-[5-(nitromethyl)-2-thienyl]-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-[5-(nitromethyl)-2-thiophenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-[5-(nitromethyl)thiophen-2-yl]-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2,6-dimethyl-4-[5-(nitromethyl)-2-thienyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C14H14N2O6S MolecularWeight: 338.33576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=C(S2)C[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=C(S2)C[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H14N2O6S/c1-6-10(13(17)18)12(11(14(19)20)7(2)15-6)9-4-3-8(23-9)5-16(21)22/h3-4,12,15H,5H2,1-2H3,(H,17,18)(H,19,20)