sodium 6-(1-hydroxyethyl)-3-(5-methyl-1-propyl-pyrazol-3-yl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium 6-(1-hydroxyethyl)-3-(5-methyl-1-propyl-pyrazol-3-yl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 6-(1-hydroxyethyl)-3-(5-methyl-1-propyl-pyrazol-3-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 6-(1-hydroxyethyl)-3-(5-methyl-1-propyl-3-pyrazolyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 6-(1-hydroxyethyl)-3-(5-methyl-1-propylpyrazol-3-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 6-(1-hydroxyethyl)-7-keto-3-(5-methyl-1-propyl-pyrazol-3-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C16H20N3NaO4 MolecularWeight: 341.33747

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=N1)C2=C(N3C(C2)C(C3=O)C(C)O)C(=O)[O-])C.[Na+]

Isomeric SMILES

CCCN1C(=CC(=N1)C2=C(N3C(C2)C(C3=O)C(C)O)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C16H21N3O4.Na/c1-4-5-18-8(2)6-11(17-18)10-7-12-13(9(3)20)15(21)19(12)14(10)16(22)23;/h6,9,12-13,20H,4-5,7H2,1-3H3,(H,22,23);/q;+1/p-1