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

Systemtic Name: sodium 1-(2-azanyl-3-methyl-butanoyl)-3-chloranyl-5-oxidanylidene-2H-pyrrole-2-carboxylate Openeye Name: sodium 1-(2-amino-3-methyl-butanoyl)-3-chloro-5-oxo-2H-pyrrole-2-carboxylate CAS Name: sodium 1-(2-amino-3-methyl-1-oxobutyl)-3-chloro-5-oxo-2H-pyrrole-2-carboxylate IUPAC Name: sodium 1-(2-amino-3-methylbutanoyl)-3-chloro-5-oxo-2H-pyrrole-2-carboxylate Traditional Name: sodium 1-(2-amino-3-methyl-butanoyl)-3-chloro-5-keto-3-pyrroline-2-carboxylate Formula: C10H12ClN2NaO4 MolecularWeight: 282.65605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13ClN2O4.Na/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);/q;+1/p-1