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

Systemtic Name: (4-methoxycarbonylphenyl) 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzoate Openeye Name: (4-methoxycarbonylphenyl) 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzoic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzoic acid (4-carbomethoxyphenyl) ester Formula: C17H13N5O6S MolecularWeight: 415.38002

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H13N5O6S/c1-21-17(18-19-20-21)29-14-8-5-11(22(25)26)9-13(14)16(24)28-12-6-3-10(4-7-12)15(23)27-2/h3-9H,1-2H3