5-phenoxycarbonylpyridine-3-carboxylate hydrate dihydrochloride

Systemtic Name: 5-phenoxycarbonylpyridine-3-carboxylate hydrate dihydrochloride Openeye Name: 5-phenoxycarbonylpyridine-3-carboxylate hydrate dihydrochloride CAS Name: 5-[oxo(phenoxy)methyl]-3-pyridinecarboxylate hydrate dihydrochloride IUPAC Name: 5-phenoxycarbonylpyridine-3-carboxylate hydrate dihydrochloride Traditional Name: 5-carbophenoxynicotinate hydrate dihydrochloride Formula: C13H12Cl2NO5- MolecularWeight: 333.14408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9NO4.2ClH.H2O/c15-12(16)9-6-10(8-14-7-9)13(17)18-11-4-2-1-3-5-11;;;/h1-8H,(H,15,16);2*1H;1H2/p-1