4-[5-(nitromethyl)thiophen-2-yl]-1-propyl-4H-pyridine-2,3,5,6-tetracarboxylic acid

Systemtic Name: 4-[5-(nitromethyl)thiophen-2-yl]-1-propyl-4H-pyridine-2,3,5,6-tetracarboxylic acid Openeye Name: 4-[5-(nitromethyl)-2-thienyl]-1-propyl-4H-pyridine-2,3,5,6-tetracarboxylic acid CAS Name: 4-[5-(nitromethyl)-2-thiophenyl]-1-propyl-4H-pyridine-2,3,5,6-tetracarboxylic acid IUPAC Name: 4-[5-(nitromethyl)thiophen-2-yl]-1-propyl-4H-pyridine-2,3,5,6-tetracarboxylic acid Traditional Name: 4-[5-(nitromethyl)-2-thienyl]-1-propyl-4H-pyridine-2,3,5,6-tetracarboxylic acid Formula: C17H16N2O10S MolecularWeight: 440.38134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(C(=C1C(=O)O)C(=O)O)C2=CC=C(S2)C[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

CCCN1C(=C(C(C(=C1C(=O)O)C(=O)O)C2=CC=C(S2)C[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C17H16N2O10S/c1-2-5-18-12(16(24)25)10(14(20)21)9(11(15(22)23)13(18)17(26)27)8-4-3-7(30-8)6-19(28)29/h3-4,9H,2,5-6H2,1H3,(H,20,21)(H,22,23)(H,24,25)(H,26,27)