sodium 1-(2-azanyl-3-methyl-butanoyl)-3-chloranyl-5-oxidanylidene-2H-pyrrole-2-carboxylate dihydrate

Systemtic Name: sodium 1-(2-azanyl-3-methyl-butanoyl)-3-chloranyl-5-oxidanylidene-2H-pyrrole-2-carboxylate dihydrate Openeye Name: sodium 1-(2-amino-3-methyl-butanoyl)-3-chloro-5-oxo-2H-pyrrole-2-carboxylate dihydrate CAS Name: sodium 1-(2-amino-3-methyl-1-oxobutyl)-3-chloro-5-oxo-2H-pyrrole-2-carboxylate dihydrate IUPAC Name: sodium 1-(2-amino-3-methylbutanoyl)-3-chloro-5-oxo-2H-pyrrole-2-carboxylate dihydrate Traditional Name: sodium 1-(2-amino-3-methyl-butanoyl)-3-chloro-5-keto-3-pyrroline-2-carboxylate dihydrate Formula: C10H16ClN2NaO6 MolecularWeight: 318.68661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1C(C(=CC1=O)Cl)C(=O)[O-])N.O.O.[Na+]

Isomeric SMILES

CC(C)C(C(=O)N1C(C(=CC1=O)Cl)C(=O)[O-])N.O.O.[Na+]

InChI

InChI=1S/C10H13ClN2O4.Na.2H2O/c1-4(2)7(12)9(15)13-6(14)3-5(11)8(13)10(16)17;;;/h3-4,7-8H,12H2,1-2H3,(H,16,17);;2*1H2/q;+1;;/p-1