cyclohexyl 5-methyl-7-(3-nitrophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: cyclohexyl 5-methyl-7-(3-nitrophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-7-(3-nitrophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-7-(3-nitrophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-7-(3-nitrophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methyl-7-(3-nitrophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=N1)N=CN2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(C(N2C(=N1)N=CN2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC4CCCCC4

InChI

InChI=1S/C19H21N5O4/c1-12-16(18(25)28-15-8-3-2-4-9-15)17(23-19(22-12)20-11-21-23)13-6-5-7-14(10-13)24(26)27/h5-7,10-11,15,17H,2-4,8-9H2,1H3,(H,20,21,22)