5-(2-nitrophenoxy)carbonylpyridine-3-carboxylate trihydrochloride

Systemtic Name: 5-(2-nitrophenoxy)carbonylpyridine-3-carboxylate trihydrochloride Openeye Name: 5-(2-nitrophenoxy)carbonylpyridine-3-carboxylate trihydrochloride CAS Name: 5-[(2-nitrophenoxy)-oxomethyl]-3-pyridinecarboxylate trihydrochloride IUPAC Name: 5-(2-nitrophenoxy)carbonylpyridine-3-carboxylate trihydrochloride Traditional Name: 5-(2-nitrophenoxy)carbonylnicotinate trihydrochloride Formula: C13H10Cl3N2O6- MolecularWeight: 396.5873

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OC(=O)C2=CN=CC(=C2)C(=O)[O-].Cl.Cl.Cl

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OC(=O)C2=CN=CC(=C2)C(=O)[O-].Cl.Cl.Cl

InChI

InChI=1S/C13H8N2O6.3ClH/c16-12(17)8-5-9(7-14-6-8)13(18)21-11-4-2-1-3-10(11)15(19)20;;;/h1-7H,(H,16,17);3*1H/p-1