4-oxidanylidene-4-[[6-(prop-2-enylamino)pyridin-3-yl]amino]butanoate

Systemtic Name: 4-oxidanylidene-4-[[6-(prop-2-enylamino)pyridin-3-yl]amino]butanoate Openeye Name: 4-[[6-(allylamino)-3-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[6-(prop-2-enylamino)-3-pyridinyl]amino]butanoate IUPAC Name: 4-oxo-4-[[6-(prop-2-enylamino)pyridin-3-yl]amino]butanoate Traditional Name: 4-[[6-(allylamino)-3-pyridyl]amino]-4-keto-butyrate Formula: C12H14N3O3- MolecularWeight: 248.25786

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC=C(C=C1)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C=CCNC1=NC=C(C=C1)NC(=O)CCC(=O)[O-]

InChI

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