2-[4-chloranyl-2-(hydroxymethyl)-3-nitro-phenyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[4-chloranyl-2-(hydroxymethyl)-3-nitro-phenyl]pyridine-3-carboxylic acid Openeye Name: 2-[4-chloro-2-(hydroxymethyl)-3-nitro-phenyl]pyridine-3-carboxylic acid CAS Name: 2-[4-chloro-2-(hydroxymethyl)-3-nitrophenyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-chloro-2-(hydroxymethyl)-3-nitrophenyl]pyridine-3-carboxylic acid Traditional Name: 2-(4-chloro-2-methylol-3-nitro-phenyl)nicotinic acid Formula: C13H9ClN2O5 MolecularWeight: 308.67396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)C2=C(C(=C(C=C2)Cl)[N+](=O)[O-])CO)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)C2=C(C(=C(C=C2)Cl)[N+](=O)[O-])CO)C(=O)O

InChI

InChI=1S/C13H9ClN2O5/c14-10-4-3-7(9(6-17)12(10)16(20)21)11-8(13(18)19)2-1-5-15-11/h1-5,17H,6H2,(H,18,19)