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

Systemtic Name: 4-[(3-nitrophenyl)methyl]-3,5-diphenyl-1,2,4-triazole Openeye Name: 4-[(3-nitrophenyl)methyl]-3,5-diphenyl-1,2,4-triazole CAS Name: 4-[(3-nitrophenyl)methyl]-3,5-diphenyl-1,2,4-triazole IUPAC Name: 4-[(3-nitrophenyl)methyl]-3,5-diphenyl-1,2,4-triazole Traditional Name: 4-(3-nitrobenzyl)-3,5-diphenyl-1,2,4-triazole Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H16N4O2/c26-25(27)19-13-7-8-16(14-19)15-24-20(17-9-3-1-4-10-17)22-23-21(24)18-11-5-2-6-12-18/h1-14H,15H2