4-pyridin-3-ylbut-2-ynyl (E)-3-azanylbut-2-enoate

Systemtic Name: 4-pyridin-3-ylbut-2-ynyl (E)-3-azanylbut-2-enoate Openeye Name: 4-(3-pyridyl)but-2-ynyl (E)-3-aminobut-2-enoate CAS Name: (E)-3-amino-2-butenoic acid 4-(3-pyridinyl)but-2-ynyl ester IUPAC Name: 4-pyridin-3-ylbut-2-ynyl (E)-3-aminobut-2-enoate Traditional Name: (E)-3-aminobut-2-enoic acid 4-(3-pyridyl)but-2-ynyl ester Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC#CCC1=CN=CC=C1)N

Isomeric SMILES

C/C(=C\C(=O)OCC#CCC1=CN=CC=C1)/N

InChI

InChI=1S/C13H14N2O2/c1-11(14)9-13(16)17-8-3-2-5-12-6-4-7-15-10-12/h4,6-7,9-10H,5,8,14H2,1H3/b11-9+