sodium; N-[3-(hydroxymethyl)phenyl]methanamide; 2-(methoxycarbamoyl)-4-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: sodium; N-[3-(hydroxymethyl)phenyl]methanamide; 2-(methoxycarbamoyl)-4-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium; N-[3-(hydroxymethyl)phenyl]formamide; 2-(methoxycarbamoyl)-4-oxo-azetidine-1-sulfonate CAS Name: sodium; N-[3-(hydroxymethyl)phenyl]formamide; 2-[(methoxyamino)-oxomethyl]-4-oxo-1-azetidinesulfonate IUPAC Name: sodium; N-[3-(hydroxymethyl)phenyl]formamide; 2-(methoxycarbamoyl)-4-oxoazetidine-1-sulfonate Traditional Name: sodium; 2-keto-4-(methoxycarbamoyl)azetidine-1-sulfonate; N-(3-methylolphenyl)formamide Formula: C13H16N3NaO8S MolecularWeight: 397.33621

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Descriptors Computed from Structure

Canonical SMILES:

CONC(=O)C1CC(=O)N1S(=O)(=O)[O-].C1=CC(=CC(=C1)NC=O)CO.[Na+]

Isomeric SMILES

CONC(=O)C1CC(=O)N1S(=O)(=O)[O-].C1=CC(=CC(=C1)NC=O)CO.[Na+]

InChI

InChI=1S/C8H9NO2.C5H8N2O6S.Na/c10-5-7-2-1-3-8(4-7)9-6-11;1-13-6-5(9)3-2-4(8)7(3)14(10,11)12;/h1-4,6,10H,5H2,(H,9,11);3H,2H2,1H3,(H,6,9)(H,10,11,12);/q;;+1/p-1