4-[(4-azanyl-3-cyano-4-oxidanylidene-butan-2-ylidene)amino]butanoic acid

Systemtic Name: 4-[(4-azanyl-3-cyano-4-oxidanylidene-butan-2-ylidene)amino]butanoic acid Openeye Name: 4-[(3-amino-2-cyano-1-methyl-3-oxo-propylidene)amino]butanoic acid CAS Name: 4-[(4-amino-3-cyano-4-oxobutan-2-ylidene)amino]butanoic acid IUPAC Name: 4-[(4-amino-3-cyano-4-oxobutan-2-ylidene)amino]butanoic acid Traditional Name: 4-[(3-amino-2-cyano-3-keto-1-methyl-propylidene)amino]butyric acid Formula: C9H13N3O3 MolecularWeight: 211.21782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O3/c1-6(7(5-10)9(11)15)12-4-2-3-8(13)14/h7H,2-4H2,1H3,(H2,11,15)(H,13,14)