[4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-propoxybenzoate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-propoxybenzoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C17H16N4O3/c1-2-11-23-15-7-3-13(4-8-15)17(22)24-16-9-5-14(6-10-16)21-12-18-19-20-21/h3-10,12H,2,11H2,1H3