2-cyanoethanoyl 2-azanyl-3-(3-methylimidazol-4-yl)propanoate

Systemtic Name: 2-cyanoethanoyl 2-azanyl-3-(3-methylimidazol-4-yl)propanoate Openeye Name: (2-cyanoacetyl) 2-amino-3-(3-methylimidazol-4-yl)propanoate CAS Name: 2-amino-3-(3-methyl-4-imidazolyl)propanoic acid (2-cyano-1-oxoethyl) ester IUPAC Name: (2-cyanoacetyl) 2-amino-3-(3-methylimidazol-4-yl)propanoate Traditional Name: 2-amino-3-(3-methylimidazol-4-yl)propionic acid (2-cyanoacetyl) ester Formula: C10H12N4O3 MolecularWeight: 236.22728

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CC(C(=O)OC(=O)CC#N)N

Isomeric SMILES

CN1C=NC=C1CC(C(=O)OC(=O)CC#N)N

InChI

InChI=1S/C10H12N4O3/c1-14-6-13-5-7(14)4-8(12)10(16)17-9(15)2-3-11/h5-6,8H,2,4,12H2,1H3