sodium [4-(4-chloranylphenoxy)-4-oxidanylidene-butyl]carbamoyloxymethyl pyridine-3-carboxylate

Systemtic Name: sodium [4-(4-chloranylphenoxy)-4-oxidanylidene-butyl]carbamoyloxymethyl pyridine-3-carboxylate Openeye Name: sodium [4-(4-chlorophenoxy)-4-oxo-butyl]carbamoyloxymethyl pyridine-3-carboxylate CAS Name: sodium 3-pyridinecarboxylic acid [[[4-(4-chlorophenoxy)-4-oxobutyl]amino]-oxomethoxy]methyl ester IUPAC Name: sodium [4-(4-chlorophenoxy)-4-oxobutyl]carbamoyloxymethyl pyridine-3-carboxylate Traditional Name: sodium nicotinic acid [4-(4-chlorophenoxy)-4-keto-butyl]carbamoyloxymethyl ester Formula: C18H17ClN2NaO6+ MolecularWeight: 415.78015

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCOC(=O)NCCCC(=O)OC2=CC=C(C=C2)Cl.[Na+]

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCOC(=O)NCCCC(=O)OC2=CC=C(C=C2)Cl.[Na+]

InChI

InChI=1S/C18H17ClN2O6.Na/c19-14-5-7-15(8-6-14)27-16(22)4-2-10-21-18(24)26-12-25-17(23)13-3-1-9-20-11-13;/h1,3,5-9,11H,2,4,10,12H2,(H,21,24);/q;+1