(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C16H18N6O3/c1-2-3-10-22-14(19-20-21-22)11-25-16(24)12-4-6-13(7-5-12)18-15(23)8-9-17/h4-7H,2-3,8,10-11H2,1H3,(H,18,23)