cyanomethyl 2-[5-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanoate

Systemtic Name: cyanomethyl 2-[5-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanoate Openeye Name: cyanomethyl 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetate CAS Name: 2-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetate Traditional Name: 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetic acid cyanomethyl ester Formula: C13H13N5O4 MolecularWeight: 303.27342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)OCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)OCC#N)OC

InChI

InChI=1S/C13H13N5O4/c1-20-10-4-3-9(7-11(10)21-2)13-15-17-18(16-13)8-12(19)22-6-5-14/h3-4,7H,6,8H2,1-2H3