4-[[4-(2-chloranyl-6-nitro-phenoxy)phenyl]methyl]-3,5-diphenyl-1,2,4-triazole

Systemtic Name: 4-[[4-(2-chloranyl-6-nitro-phenoxy)phenyl]methyl]-3,5-diphenyl-1,2,4-triazole Openeye Name: 4-[[4-(2-chloro-6-nitro-phenoxy)phenyl]methyl]-3,5-diphenyl-1,2,4-triazole CAS Name: 4-[[4-(2-chloro-6-nitrophenoxy)phenyl]methyl]-3,5-diphenyl-1,2,4-triazole IUPAC Name: 4-[[4-(2-chloro-6-nitrophenoxy)phenyl]methyl]-3,5-diphenyl-1,2,4-triazole Traditional Name: 4-[4-(2-chloro-6-nitro-phenoxy)benzyl]-3,5-diphenyl-1,2,4-triazole Formula: C27H19ClN4O3 MolecularWeight: 482.91776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=C(C=C3)OC4=C(C=CC=C4Cl)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=C(C=C3)OC4=C(C=CC=C4Cl)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H19ClN4O3/c28-23-12-7-13-24(32(33)34)25(23)35-22-16-14-19(15-17-22)18-31-26(20-8-3-1-4-9-20)29-30-27(31)21-10-5-2-6-11-21/h1-17H,18H2