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

Systemtic Name: 3-butyl-5-(furan-2-yl)-4-[(4-nitrophenyl)methyl]-1,2,4-triazole Openeye Name: 3-butyl-5-(2-furyl)-4-[(4-nitrophenyl)methyl]-1,2,4-triazole CAS Name: 3-butyl-5-(2-furanyl)-4-[(4-nitrophenyl)methyl]-1,2,4-triazole IUPAC Name: 3-butyl-5-(furan-2-yl)-4-[(4-nitrophenyl)methyl]-1,2,4-triazole Traditional Name: 3-butyl-5-(2-furyl)-4-(4-nitrobenzyl)-1,2,4-triazole Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C17H18N4O3/c1-2-3-6-16-18-19-17(15-5-4-11-24-15)20(16)12-13-7-9-14(10-8-13)21(22)23/h4-5,7-11H,2-3,6,12H2,1H3