5-(4-chloranyl-3-nitro-phenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole

Systemtic Name: 5-(4-chloranyl-3-nitro-phenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole Openeye Name: 5-(4-chloro-3-nitro-phenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole CAS Name: 5-(4-chloro-3-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 5-(4-chloro-3-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole Traditional Name: 5-(4-chloro-3-nitro-phenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole Formula: C17H15ClN4O5 MolecularWeight: 390.7778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NNC(=N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NNC(=N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN4O5/c1-25-13-7-10(8-14(26-2)15(13)27-3)17-19-16(20-21-17)9-4-5-11(18)12(6-9)22(23)24/h4-8H,1-3H3,(H,19,20,21)