4-[5-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]butanenitrile

Systemtic Name: 4-[5-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]butanenitrile Openeye Name: 4-[5-(3,4,5-trimethoxyphenyl)tetrazol-2-yl]butanenitrile CAS Name: 4-[5-(3,4,5-trimethoxyphenyl)-2-tetrazolyl]butanenitrile IUPAC Name: 4-[5-(3,4,5-trimethoxyphenyl)tetrazol-2-yl]butanenitrile Traditional Name: 4-[5-(3,4,5-trimethoxyphenyl)tetrazol-2-yl]butyronitrile Formula: C14H17N5O3 MolecularWeight: 303.31648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN(N=N2)CCCC#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN(N=N2)CCCC#N

InChI

InChI=1S/C14H17N5O3/c1-20-11-8-10(9-12(21-2)13(11)22-3)14-16-18-19(17-14)7-5-4-6-15/h8-9H,4-5,7H2,1-3H3