(2S)-2-[[(E)-4-butoxy-4-oxidanylidene-but-2-en-2-yl]amino]butanedioic acid

Systemtic Name: (2S)-2-[[(E)-4-butoxy-4-oxidanylidene-but-2-en-2-yl]amino]butanedioic acid Openeye Name: (2S)-2-[[(E)-3-butoxy-1-methyl-3-oxo-prop-1-enyl]amino]butanedioic acid CAS Name: (2S)-2-[[(E)-4-butoxy-4-oxobut-2-en-2-yl]amino]butanedioic acid IUPAC Name: (2S)-2-[[(E)-4-butoxy-4-oxobut-2-en-2-yl]amino]butanedioic acid Traditional Name: (2S)-2-[[(E)-3-butoxy-3-keto-1-methyl-prop-1-enyl]amino]succinic acid Formula: C12H19NO6 MolecularWeight: 273.28236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=C(C)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCOC(=O)/C=C(\C)/N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C12H19NO6/c1-3-4-5-19-11(16)6-8(2)13-9(12(17)18)7-10(14)15/h6,9,13H,3-5,7H2,1-2H3,(H,14,15)(H,17,18)/b8-6+/t9-/m0/s1