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

Systemtic Name: methyl 2-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-5-nitro-benzoate Openeye Name: methyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-5-nitro-benzoate CAS Name: 2-[[1-(2-ethoxyphenyl)-5-tetrazolyl]thio]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-5-nitrobenzoate Traditional Name: 5-nitro-2-[(1-o-phenetyltetrazol-5-yl)thio]benzoic acid methyl ester Formula: C17H15N5O5S MolecularWeight: 401.3965

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H15N5O5S/c1-3-27-14-7-5-4-6-13(14)21-17(18-19-20-21)28-15-9-8-11(22(24)25)10-12(15)16(23)26-2/h4-10H,3H2,1-2H3