octyl 5-methyl-7-(4-nitrophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: octyl 5-methyl-7-(4-nitrophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: octyl 5-methyl-7-(4-nitrophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-7-(4-nitrophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid octyl ester IUPAC Name: octyl 5-methyl-7-(4-nitrophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methyl-7-(4-nitrophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid octyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(N=C2N=CNN2C1C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(N=C2N=CNN2C1C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H27N5O4/c1-3-4-5-6-7-8-13-30-20(27)18-15(2)24-21-22-14-23-25(21)19(18)16-9-11-17(12-10-16)26(28)29/h9-12,14,19H,3-8,13H2,1-2H3,(H,22,23,24)