4-(3-nitrophenyl)-2-(5-pyridin-4-ylpyridin-2-yl)pyridine-3-carboxylic acid

Systemtic Name: 4-(3-nitrophenyl)-2-(5-pyridin-4-ylpyridin-2-yl)pyridine-3-carboxylic acid Openeye Name: 4-(3-nitrophenyl)-2-[5-(4-pyridyl)-2-pyridyl]pyridine-3-carboxylic acid CAS Name: 4-(3-nitrophenyl)-2-(5-pyridin-4-yl-2-pyridinyl)-3-pyridinecarboxylic acid IUPAC Name: 4-(3-nitrophenyl)-2-(5-pyridin-4-ylpyridin-2-yl)pyridine-3-carboxylic acid Traditional Name: 4-(3-nitrophenyl)-2-[5-(4-pyridyl)-2-pyridyl]nicotinic acid Formula: C22H14N4O4 MolecularWeight: 398.37096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=NC=C2)C3=NC=C(C=C3)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=NC=C2)C3=NC=C(C=C3)C4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C22H14N4O4/c27-22(28)20-18(15-2-1-3-17(12-15)26(29)30)8-11-24-21(20)19-5-4-16(13-25-19)14-6-9-23-10-7-14/h1-13H,(H,27,28)