4-(1,3-dihydrobenzotriazol-2-yl)-3-octoxy-cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 4-(1,3-dihydrobenzotriazol-2-yl)-3-octoxy-cyclohexa-3,5-diene-1,2-dione Openeye Name: 4-(1,3-dihydrobenzotriazol-2-yl)-3-octoxy-1,2-benzoquinone CAS Name: 4-(1,3-dihydrobenzotriazol-2-yl)-3-octoxycyclohexa-3,5-diene-1,2-dione IUPAC Name: 4-(1,3-dihydrobenzotriazol-2-yl)-3-octoxycyclohexa-3,5-diene-1,2-dione Traditional Name: 4-(1,3-dihydrobenzotriazol-2-yl)-3-octoxy-o-benzoquinone Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC(=O)C1=O)N2NC3=CC=CC=C3N2

Isomeric SMILES

CCCCCCCCOC1=C(C=CC(=O)C1=O)N2NC3=CC=CC=C3N2

InChI

InChI=1S/C20H25N3O3/c1-2-3-4-5-6-9-14-26-20-17(12-13-18(24)19(20)25)23-21-15-10-7-8-11-16(15)22-23/h7-8,10-13,21-22H,2-6,9,14H2,1H3