2-[5-(4-nitrophenyl)-1,2,3,4-tetrazol-2-yl]ethanoate

Systemtic Name: 2-[5-(4-nitrophenyl)-1,2,3,4-tetrazol-2-yl]ethanoate Openeye Name: 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate CAS Name: 2-[5-(4-nitrophenyl)-2-tetrazolyl]acetate IUPAC Name: 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate Traditional Name: 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate Formula: C9H6N5O4- MolecularWeight: 248.17504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(N=N2)CC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN(N=N2)CC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H7N5O4/c15-8(16)5-13-11-9(10-12-13)6-1-3-7(4-2-6)14(17)18/h1-4H,5H2,(H,15,16)/p-1