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

Systemtic Name: ethyl 7-(3-nitrophenyl)-5-phenyl-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 7-(3-nitrophenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-(3-nitrophenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(3-nitrophenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-(3-nitrophenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H16N6O4 MolecularWeight: 392.36814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N=NNN2C1C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C2N=NNN2C1C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C19H16N6O4/c1-2-29-18(26)15-16(12-7-4-3-5-8-12)20-19-21-22-23-24(19)17(15)13-9-6-10-14(11-13)25(27)28/h3-11,17H,2H2,1H3,(H,20,21,23)