6-[1-[bis[3-(6-carboxypyridin-2-yl)pyrazol-1-yl]methyl]pyrazol-3-yl]pyridine-2-carboxylic acid

Systemtic Name: 6-[1-[bis[3-(6-carboxypyridin-2-yl)pyrazol-1-yl]methyl]pyrazol-3-yl]pyridine-2-carboxylic acid Openeye Name: 6-[1-[bis[3-(6-carboxy-2-pyridyl)pyrazol-1-yl]methyl]pyrazol-3-yl]pyridine-2-carboxylic acid CAS Name: 6-[1-[bis[3-(6-carboxy-2-pyridinyl)-1-pyrazolyl]methyl]-3-pyrazolyl]-2-pyridinecarboxylic acid IUPAC Name: 6-[1-[bis[3-(6-carboxypyridin-2-yl)pyrazol-1-yl]methyl]pyrazol-3-yl]pyridine-2-carboxylic acid Traditional Name: 6-[1-[bis[3-(6-carboxy-2-pyridyl)pyrazol-1-yl]methyl]pyrazol-3-yl]picolinic acid Formula: C28H19N9O6 MolecularWeight: 577.50716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)C(=O)O)C2=NN(C=C2)C(N3C=CC(=N3)C4=NC(=CC=C4)C(=O)O)N5C=CC(=N5)C6=NC(=CC=C6)C(=O)O

Isomeric SMILES

C1=CC(=NC(=C1)C(=O)O)C2=NN(C=C2)C(N3C=CC(=N3)C4=NC(=CC=C4)C(=O)O)N5C=CC(=N5)C6=NC(=CC=C6)C(=O)O

InChI

InChI=1S/C28H19N9O6/c38-25(39)22-7-1-4-16(29-22)19-10-13-35(32-19)28(36-14-11-20(33-36)17-5-2-8-23(30-17)26(40)41)37-15-12-21(34-37)18-6-3-9-24(31-18)27(42)43/h1-15,28H,(H,38,39)(H,40,41)(H,42,43)