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

Systemtic Name: 5-(3-methyl-4-nitro-phenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole Openeye Name: 5-(3-methyl-4-nitro-phenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole CAS Name: 5-(3-methyl-4-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 5-(3-methyl-4-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole Traditional Name: 5-(3-methyl-4-nitro-phenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC(=NN2)C3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC(=NN2)C3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5/c1-10-7-11(5-6-13(10)22(23)24)17-19-18(21-20-17)12-8-14(25-2)16(27-4)15(9-12)26-3/h5-9H,1-4H3,(H,19,20,21)