4,5-dimethoxy-2-[2-(1,2,3,4-tetrazol-1-yl)ethanoylamino]benzoic acid

Systemtic Name: 4,5-dimethoxy-2-[2-(1,2,3,4-tetrazol-1-yl)ethanoylamino]benzoic acid Openeye Name: 4,5-dimethoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid CAS Name: 4,5-dimethoxy-2-[[1-oxo-2-(1-tetrazolyl)ethyl]amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid Traditional Name: 4,5-dimethoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid Formula: C12H13N5O5 MolecularWeight: 307.26212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CN2C=NN=N2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CN2C=NN=N2)OC

InChI

InChI=1S/C12H13N5O5/c1-21-9-3-7(12(19)20)8(4-10(9)22-2)14-11(18)5-17-6-13-15-16-17/h3-4,6H,5H2,1-2H3,(H,14,18)(H,19,20)