(2-nitrophenyl)methyl 3-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (2-nitrophenyl)methyl 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (2-nitrophenyl)methyl 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid (2-nitrobenzyl) ester Formula: C15H11N5O4 MolecularWeight: 325.27894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N5O4/c21-15(24-9-12-4-1-2-7-14(12)20(22)23)11-5-3-6-13(8-11)19-10-16-17-18-19/h1-8,10H,9H2