3-butyl-5-chloranyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazole

Systemtic Name: 3-butyl-5-chloranyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazole Openeye Name: 3-butyl-5-chloro-4-[(4-nitrophenyl)methyl]-1,2,4-triazole CAS Name: 3-butyl-5-chloro-4-[(4-nitrophenyl)methyl]-1,2,4-triazole IUPAC Name: 3-butyl-5-chloro-4-[(4-nitrophenyl)methyl]-1,2,4-triazole Traditional Name: 3-butyl-5-chloro-4-(4-nitrobenzyl)-1,2,4-triazole Formula: C13H15ClN4O2 MolecularWeight: 294.7368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H15ClN4O2/c1-2-3-4-12-15-16-13(14)17(12)9-10-5-7-11(8-6-10)18(19)20/h5-8H,2-4,9H2,1H3