methyl 4-[5-(4-dimethylaminophenyl)-1,2,4-triazol-1-yl]benzoate

Systemtic Name: methyl 4-[5-(4-dimethylaminophenyl)-1,2,4-triazol-1-yl]benzoate Openeye Name: methyl 4-[5-(4-dimethylaminophenyl)-1,2,4-triazol-1-yl]benzoate CAS Name: 4-[5-(4-dimethylaminophenyl)-1,2,4-triazol-1-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(4-dimethylaminophenyl)-1,2,4-triazol-1-yl]benzoate Traditional Name: 4-[5-(4-dimethylaminophenyl)-1,2,4-triazol-1-yl]benzoic acid methyl ester Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=NC=NN2C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=NC=NN2C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H18N4O2/c1-21(2)15-8-4-13(5-9-15)17-19-12-20-22(17)16-10-6-14(7-11-16)18(23)24-3/h4-12H,1-3H3