5-nitro-2-[(E)-2-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)ethenyl]pyridine-3-carboxylic acid

Systemtic Name: 5-nitro-2-[(E)-2-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)ethenyl]pyridine-3-carboxylic acid Openeye Name: 5-nitro-2-[(E)-2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]vinyl]pyridine-3-carboxylic acid CAS Name: 5-nitro-2-[(E)-2-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)ethenyl]-3-pyridinecarboxylic acid IUPAC Name: 5-nitro-2-[(E)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]pyridine-3-carboxylic acid Traditional Name: 5-nitro-2-[(E)-2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]vinyl]nicotinic acid Formula: C21H14N4O4S MolecularWeight: 418.42526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=CC4=NC=C(C=C4C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=C/C4=NC=C(C=C4C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O4S/c26-21(27)17-11-16(25(28)29)12-22-18(17)9-8-14-13-24(15-5-2-1-3-6-15)23-20(14)19-7-4-10-30-19/h1-13H,(H,26,27)/b9-8+