sodium (6S)-3-methyl-7-(3-nitropropanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium (6S)-3-methyl-7-(3-nitropropanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium (6S)-3-methyl-7-(3-nitropropanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium (6S)-3-methyl-7-[(3-nitro-1-oxopropyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium (6S)-3-methyl-7-(3-nitropropanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium (6S)-8-keto-3-methyl-7-(3-nitropropanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C11H12N3NaO6S MolecularWeight: 337.28425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CC[N+](=O)[O-])SC1)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(N2[C@H](C(C2=O)NC(=O)CC[N+](=O)[O-])SC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C11H13N3O6S.Na/c1-5-4-21-10-7(12-6(15)2-3-13(19)20)9(16)14(10)8(5)11(17)18;/h7,10H,2-4H2,1H3,(H,12,15)(H,17,18);/q;+1/p-1/t7?,10-;/m0./s1