2-[5-(4-methoxy-3-nitro-phenyl)-1,2,3,4-tetrazol-2-yl]ethanoate

Systemtic Name: 2-[5-(4-methoxy-3-nitro-phenyl)-1,2,3,4-tetrazol-2-yl]ethanoate Openeye Name: 2-[5-(4-methoxy-3-nitro-phenyl)tetrazol-2-yl]acetate CAS Name: 2-[5-(4-methoxy-3-nitrophenyl)-2-tetrazolyl]acetate IUPAC Name: 2-[5-(4-methoxy-3-nitrophenyl)tetrazol-2-yl]acetate Traditional Name: 2-[5-(4-methoxy-3-nitro-phenyl)tetrazol-2-yl]acetate Formula: C10H8N5O5- MolecularWeight: 278.20102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H9N5O5/c1-20-8-3-2-6(4-7(8)15(18)19)10-11-13-14(12-10)5-9(16)17/h2-4H,5H2,1H3,(H,16,17)/p-1