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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-cyanobenzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C14H15N5O2 MolecularWeight: 285.3012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O2/c1-2-3-7-19-13(16-17-18-19)10-21-14(20)12-6-4-5-11(8-12)9-15/h4-6,8H,2-3,7,10H2,1H3