(5-chloranyl-1-methyl-imidazol-2-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C15H13ClN4O3 MolecularWeight: 332.74172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)Cl

InChI

InChI=1S/C15H13ClN4O3/c1-20-12(16)8-18-13(20)9-23-15(22)10-2-4-11(5-3-10)19-14(21)6-7-17/h2-5,8H,6,9H2,1H3,(H,19,21)