methyl 4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)amino]butanoate

Systemtic Name: methyl 4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)amino]butanoate Openeye Name: methyl 4-[(1-phenyltetrazol-5-yl)amino]butanoate CAS Name: 4-[(1-phenyl-5-tetrazolyl)amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(1-phenyltetrazol-5-yl)amino]butanoate Traditional Name: 4-[(1-phenyltetrazol-5-yl)amino]butyric acid methyl ester Formula: C12H15N5O2 MolecularWeight: 261.2798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C12H15N5O2/c1-19-11(18)8-5-9-13-12-14-15-16-17(12)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,13,14,16)