sodium 6-(1-hydroxyethyl)-7-oxidanylidene-3-(propylamino)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium 6-(1-hydroxyethyl)-7-oxidanylidene-3-(propylamino)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 6-(1-hydroxyethyl)-7-oxo-3-(propylamino)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 6-(1-hydroxyethyl)-7-oxo-3-(propylamino)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 6-(1-hydroxyethyl)-7-oxo-3-(propylamino)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 6-(1-hydroxyethyl)-7-keto-3-(propylamino)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C12H17N2NaO4 MolecularWeight: 276.26415

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(N2C(C1)C(C2=O)C(C)O)C(=O)[O-].[Na+]

Isomeric SMILES

CCCNC1=C(N2C(C1)C(C2=O)C(C)O)C(=O)[O-].[Na+]

InChI

InChI=1S/C12H18N2O4.Na/c1-3-4-13-7-5-8-9(6(2)15)11(16)14(8)10(7)12(17)18;/h6,8-9,13,15H,3-5H2,1-2H3,(H,17,18);/q;+1/p-1