methyl (Z)-3-azanylbut-2-enoate; 3-oxidanylidenebutanoate

Systemtic Name: methyl (Z)-3-azanylbut-2-enoate; 3-oxidanylidenebutanoate Openeye Name: methyl (Z)-3-aminobut-2-enoate; 3-oxobutanoate CAS Name: (Z)-3-amino-2-butenoic acid methyl ester; 3-oxobutanoate IUPAC Name: methyl (Z)-3-aminobut-2-enoate; 3-oxobutanoate Traditional Name: acetoacetate; (Z)-3-aminobut-2-enoic acid methyl ester Formula: C9H14NO5- MolecularWeight: 216.21116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)[O-].CC(=CC(=O)OC)N

Isomeric SMILES

CC(=O)CC(=O)[O-].C/C(=C/C(=O)OC)/N

InChI

InChI=1S/C5H9NO2.C4H6O3/c1-4(6)3-5(7)8-2;1-3(5)2-4(6)7/h3H,6H2,1-2H3;2H2,1H3,(H,6,7)/p-1/b4-3-;