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

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzoate Openeye Name: (2-methoxy-2-oxo-ethyl) 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(1-methyl-5-tetrazolyl)thio]-3-nitrobenzoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(1-methyltetrazol-5-yl)thio]-3-nitro-benzoic acid (2-keto-2-methoxy-ethyl) ester Formula: C12H11N5O6S MolecularWeight: 353.31064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N5O6S/c1-16-12(13-14-15-16)24-9-4-3-7(5-8(9)17(20)21)11(19)23-6-10(18)22-2/h3-5H,6H2,1-2H3