4-(2,4-dimethoxyphenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one

Systemtic Name: 4-(2,4-dimethoxyphenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one Openeye Name: 4-(2,4-dimethoxyphenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one CAS Name: 4-(2,4-dimethoxyphenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one IUPAC Name: 4-(2,4-dimethoxyphenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one Traditional Name: 4-(2,4-dimethoxyphenyl)-5-methyl-2-(4-nitrobenzyl)-1,2,4-triazol-3-one Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=C(C=C(C=C2)OC)OC)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)N1C2=C(C=C(C=C2)OC)OC)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5/c1-12-19-20(11-13-4-6-14(7-5-13)22(24)25)18(23)21(12)16-9-8-15(26-2)10-17(16)27-3/h4-10H,11H2,1-3H3