3-(2-azanylpyridin-3-yl)propanoyl (E)-4-oxidanylidenebut-2-enoate

Systemtic Name: 3-(2-azanylpyridin-3-yl)propanoyl (E)-4-oxidanylidenebut-2-enoate Openeye Name: 3-(2-amino-3-pyridyl)propanoyl (E)-4-oxobut-2-enoate CAS Name: (E)-4-oxo-2-butenoic acid [3-(2-amino-3-pyridinyl)-1-oxopropyl] ester IUPAC Name: 3-(2-aminopyridin-3-yl)propanoyl (E)-4-oxobut-2-enoate Traditional Name: (E)-4-ketobut-2-enoic acid 3-(2-amino-3-pyridyl)propanoyl ester Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)N)CCC(=O)OC(=O)C=CC=O

Isomeric SMILES

C1=CC(=C(N=C1)N)CCC(=O)OC(=O)/C=C/C=O

InChI

InChI=1S/C12H12N2O4/c13-12-9(3-1-7-14-12)5-6-11(17)18-10(16)4-2-8-15/h1-4,7-8H,5-6H2,(H2,13,14)/b4-2+