(phenylmethyl) 5-methyl-7-[2-nitro-4-(trifluoromethyl)phenyl]-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) 5-methyl-7-[2-nitro-4-(trifluoromethyl)phenyl]-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: benzyl 5-methyl-7-[2-nitro-4-(trifluoromethyl)phenyl]-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-7-[2-nitro-4-(trifluoromethyl)phenyl]-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-7-[2-nitro-4-(trifluoromethyl)phenyl]-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methyl-7-[2-nitro-4-(trifluoromethyl)phenyl]-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid benzyl ester Formula: C20H15F3N6O4 MolecularWeight: 460.36611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=N1)N=NN2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(N2C(=N1)N=NN2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H15F3N6O4/c1-11-16(18(30)33-10-12-5-3-2-4-6-12)17(28-19(24-11)25-26-27-28)14-8-7-13(20(21,22)23)9-15(14)29(31)32/h2-9,17H,10H2,1H3,(H,24,25,27)