4-oxidanylidene-4-[[5-(prop-2-enylamino)pyridin-2-yl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[5-(prop-2-enylamino)pyridin-2-yl]amino]butanoic acid Openeye Name: 4-[[5-(allylamino)-2-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[[5-(prop-2-enylamino)-2-pyridinyl]amino]butanoic acid IUPAC Name: 4-oxo-4-[[5-(prop-2-enylamino)pyridin-2-yl]amino]butanoic acid Traditional Name: 4-[[5-(allylamino)-2-pyridyl]amino]-4-keto-butyric acid Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=CN=C(C=C1)NC(=O)CCC(=O)O

Isomeric SMILES

C=CCNC1=CN=C(C=C1)NC(=O)CCC(=O)O

InChI

InChI=1S/C12H15N3O3/c1-2-7-13-9-3-4-10(14-8-9)15-11(16)5-6-12(17)18/h2-4,8,13H,1,5-7H2,(H,17,18)(H,14,15,16)