1-(4-fluoranyl-3-nitro-phenyl)-5-(3-methoxy-4-phenylmethoxy-phenyl)-1,2,4-triazole

Systemtic Name: 1-(4-fluoranyl-3-nitro-phenyl)-5-(3-methoxy-4-phenylmethoxy-phenyl)-1,2,4-triazole Openeye Name: 5-(4-benzyloxy-3-methoxy-phenyl)-1-(4-fluoro-3-nitro-phenyl)-1,2,4-triazole CAS Name: 1-(4-fluoro-3-nitrophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-1,2,4-triazole IUPAC Name: 1-(4-fluoro-3-nitrophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-1,2,4-triazole Traditional Name: 5-(4-benzoxy-3-methoxy-phenyl)-1-(4-fluoro-3-nitro-phenyl)-1,2,4-triazole Formula: C22H17FN4O4 MolecularWeight: 420.393183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NC=NN2C3=CC(=C(C=C3)F)[N+](=O)[O-])OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NC=NN2C3=CC(=C(C=C3)F)[N+](=O)[O-])OCC4=CC=CC=C4

InChI

InChI=1S/C22H17FN4O4/c1-30-21-11-16(7-10-20(21)31-13-15-5-3-2-4-6-15)22-24-14-25-26(22)17-8-9-18(23)19(12-17)27(28)29/h2-12,14H,13H2,1H3