5-(6-octoxybenzotriazol-1-yl)pyrazol-3-one

Systemtic Name: 5-(6-octoxybenzotriazol-1-yl)pyrazol-3-one Openeye Name: 5-(6-octoxybenzotriazol-1-yl)pyrazol-3-one CAS Name: 5-(6-octoxy-1-benzotriazolyl)-3-pyrazolone IUPAC Name: 5-(6-octoxybenzotriazol-1-yl)pyrazol-3-one Traditional Name: 5-(6-octoxybenzotriazol-1-yl)pyrazol-3-one Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)N=NN2C3=CC(=O)N=N3

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)N=NN2C3=CC(=O)N=N3

InChI

InChI=1S/C17H21N5O2/c1-2-3-4-5-6-7-10-24-13-8-9-14-15(11-13)22(21-18-14)16-12-17(23)20-19-16/h8-9,11-12H,2-7,10H2,1H3