methyl 5-nitro-2-[[1-(oxolan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]benzoate

Systemtic Name: methyl 5-nitro-2-[[1-(oxolan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]benzoate Openeye Name: methyl 5-nitro-2-[1-(tetrahydrofuran-2-ylmethyl)tetrazol-5-yl]sulfanyl-benzoate CAS Name: 5-nitro-2-[[1-(2-oxolanylmethyl)-5-tetrazolyl]thio]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbenzoate Traditional Name: 5-nitro-2-[[1-(tetrahydrofurfuryl)tetrazol-5-yl]thio]benzoic acid methyl ester Formula: C14H15N5O5S MolecularWeight: 365.3644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NN=NN2CC3CCCO3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NN=NN2CC3CCCO3

InChI

InChI=1S/C14H15N5O5S/c1-23-13(20)11-7-9(19(21)22)4-5-12(11)25-14-15-16-17-18(14)8-10-3-2-6-24-10/h4-5,7,10H,2-3,6,8H2,1H3