2-(phenylmethoxycarbonylamino)-4-(2H-1,2,3,4-tetrazol-5-yl)butanoate

Systemtic Name: 2-(phenylmethoxycarbonylamino)-4-(2H-1,2,3,4-tetrazol-5-yl)butanoate Openeye Name: 2-(benzyloxycarbonylamino)-4-(2H-tetrazol-5-yl)butanoate CAS Name: 2-(phenylmethoxycarbonylamino)-4-(2H-tetrazol-5-yl)butanoate IUPAC Name: 2-(phenylmethoxycarbonylamino)-4-(2H-tetrazol-5-yl)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(2H-tetrazol-5-yl)butyrate Formula: C13H14N5O4- MolecularWeight: 304.28136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCC2=NNN=N2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCC2=NNN=N2)C(=O)[O-]

InChI

InChI=1S/C13H15N5O4/c19-12(20)10(6-7-11-15-17-18-16-11)14-13(21)22-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,21)(H,19,20)(H,15,16,17,18)/p-1