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

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzoate Openeye Name: 2-(4-bromophenoxy)ethyl 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzoic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzoic acid 2-(4-bromophenoxy)ethyl ester Formula: C17H14BrN5O5S MolecularWeight: 480.29256

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCOC3=CC=C(C=C3)Br

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H14BrN5O5S/c1-22-17(19-20-21-22)29-15-7-4-12(23(25)26)10-14(15)16(24)28-9-8-27-13-5-2-11(18)3-6-13/h2-7,10H,8-9H2,1H3