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

Systemtic Name: ethyl 5-methyl-7-(4-nitrophenyl)-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-7-(4-nitrophenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-7-(4-nitrophenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-7-(4-nitrophenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methyl-7-(4-nitrophenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C14H14N6O4 MolecularWeight: 330.29876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N=NNN2C1C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C2N=NNN2C1C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C14H14N6O4/c1-3-24-13(21)11-8(2)15-14-16-17-18-19(14)12(11)9-4-6-10(7-5-9)20(22)23/h4-7,12H,3H2,1-2H3,(H,15,16,18)