[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl] 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [(2S)-1-methoxy-1-oxidanylidene-propan-2-yl] 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [(1S)-2-methoxy-1-methyl-2-oxo-ethyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [(2S)-1-methoxy-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-methoxy-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [(1S)-2-keto-2-methoxy-1-methyl-ethyl] ester Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC(=O)C1=CC=C(C=C1)N2C=NN=N2

Isomeric SMILES

C[C@@H](C(=O)OC)OC(=O)C1=CC=C(C=C1)N2C=NN=N2

InChI

InChI=1S/C12H12N4O4/c1-8(11(17)19-2)20-12(18)9-3-5-10(6-4-9)16-7-13-14-15-16/h3-8H,1-2H3/t8-/m0/s1