(3-nitrophenyl)methyl 2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoate

Systemtic Name: (3-nitrophenyl)methyl 2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoate Openeye Name: (3-nitrophenyl)methyl 2-(5-phenyltetrazol-2-yl)acetate CAS Name: 2-(5-phenyl-2-tetrazolyl)acetic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-(5-phenyltetrazol-2-yl)acetate Traditional Name: 2-(5-phenyltetrazol-2-yl)acetic acid (3-nitrobenzyl) ester Formula: C16H13N5O4 MolecularWeight: 339.30552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O4/c22-15(25-11-12-5-4-8-14(9-12)21(23)24)10-20-18-16(17-19-20)13-6-2-1-3-7-13/h1-9H,10-11H2