disodium 2-[[(Z)-4-oxidanylidenepent-2-en-2-yl]amino]butanedioate

Systemtic Name: disodium 2-[[(Z)-4-oxidanylidenepent-2-en-2-yl]amino]butanedioate Openeye Name: disodium 2-[[(Z)-1-methyl-3-oxo-but-1-enyl]amino]butanedioate CAS Name: disodium 2-[[(Z)-4-oxopent-2-en-2-yl]amino]butanedioate IUPAC Name: disodium 2-[[(Z)-4-oxopent-2-en-2-yl]amino]butanedioate Traditional Name: disodium 2-[[(Z)-3-keto-1-methyl-but-1-enyl]amino]succinate Formula: C9H11NNa2O5 MolecularWeight: 259.16688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C/C(=O)C)/NC(CC(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C9H13NO5.2Na/c1-5(3-6(2)11)10-7(9(14)15)4-8(12)13;;/h3,7,10H,4H2,1-2H3,(H,12,13)(H,14,15);;/q;2*+1/p-2/b5-3-;;