4-[[(E)-4-azanyl-3-cyano-4-oxidanylidene-but-2-en-2-yl]amino]butanoic acid

Systemtic Name: 4-[[(E)-4-azanyl-3-cyano-4-oxidanylidene-but-2-en-2-yl]amino]butanoic acid Openeye Name: 4-[[(E)-3-amino-2-cyano-1-methyl-3-oxo-prop-1-enyl]amino]butanoic acid CAS Name: 4-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]butanoic acid IUPAC Name: 4-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]butanoic acid Traditional Name: 4-[[(E)-3-amino-2-cyano-3-keto-1-methyl-prop-1-enyl]amino]butyric acid Formula: C9H13N3O3 MolecularWeight: 211.21782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)N)NCCCC(=O)O

Isomeric SMILES

C/C(=C(/C#N)\C(=O)N)/NCCCC(=O)O

InChI

InChI=1S/C9H13N3O3/c1-6(7(5-10)9(11)15)12-4-2-3-8(13)14/h12H,2-4H2,1H3,(H2,11,15)(H,13,14)/b7-6+