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

Systemtic Name: methyl 4-nitro-2-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: methyl 4-nitro-2-(tetrazol-1-yl)benzoate CAS Name: 4-nitro-2-(1-tetrazolyl)benzoic acid methyl ester IUPAC Name: methyl 4-nitro-2-(tetrazol-1-yl)benzoate Traditional Name: 4-nitro-2-(tetrazol-1-yl)benzoic acid methyl ester Formula: C9H7N5O4 MolecularWeight: 249.18298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])N2C=NN=N2

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])N2C=NN=N2

InChI

InChI=1S/C9H7N5O4/c1-18-9(15)7-3-2-6(14(16)17)4-8(7)13-5-10-11-12-13/h2-5H,1H3