sodium; methane; 4-[[(E)-4-oxidanylidenepent-2-en-2-yl]amino]-4,5-dihydro-1,2-oxazol-3-olate

Systemtic Name: sodium; methane; 4-[[(E)-4-oxidanylidenepent-2-en-2-yl]amino]-4,5-dihydro-1,2-oxazol-3-olate Openeye Name: sodium; methane; 4-[[(E)-1-methyl-3-oxo-but-1-enyl]amino]-4,5-dihydroisoxazol-3-olate CAS Name: sodium; methane; 4-[[(E)-4-oxopent-2-en-2-yl]amino]-4,5-dihydroisoxazol-3-olate IUPAC Name: sodium; methane; 4-[[(E)-4-oxopent-2-en-2-yl]amino]-4,5-dihydro-1,2-oxazol-3-olate Traditional Name: sodium; 4-[[(E)-3-keto-1-methyl-but-1-enyl]amino]-2-isoxazolin-3-olate; methane Formula: C9H15N2NaO3 MolecularWeight: 222.21677

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Descriptors Computed from Structure

Canonical SMILES:

C.CC(=CC(=O)C)NC1CON=C1[O-].[Na+]

Isomeric SMILES

C.C/C(=C\C(=O)C)/NC1CON=C1[O-].[Na+]

InChI

InChI=1S/C8H12N2O3.CH4.Na/c1-5(3-6(2)11)9-7-4-13-10-8(7)12;;/h3,7,9H,4H2,1-2H3,(H,10,12);1H4;/q;;+1/p-1/b5-3+;;