(4-nitrophenyl)methyl (2S)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate

Systemtic Name: (4-nitrophenyl)methyl (2S)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate Openeye Name: (4-nitrophenyl)methyl (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate CAS Name: (2S)-3-phenyl-2-(1-tetrazolyl)propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate Traditional Name: (2S)-3-phenyl-2-(tetrazol-1-yl)propionic acid (4-nitrobenzyl) ester Formula: C17H15N5O4 MolecularWeight: 353.3321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N3C=NN=N3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N3C=NN=N3

InChI

InChI=1S/C17H15N5O4/c23-17(26-11-14-6-8-15(9-7-14)22(24)25)16(21-12-18-19-20-21)10-13-4-2-1-3-5-13/h1-9,12,16H,10-11H2/t16-/m0/s1