3-(3-methyl-4-nitro-phenyl)-5-phenyl-1H-1,2,4-triazole

Systemtic Name: 3-(3-methyl-4-nitro-phenyl)-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-(3-methyl-4-nitro-phenyl)-5-phenyl-1H-1,2,4-triazole CAS Name: 3-(3-methyl-4-nitrophenyl)-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-(3-methyl-4-nitrophenyl)-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-(3-methyl-4-nitro-phenyl)-5-phenyl-1H-1,2,4-triazole Formula: C15H12N4O2 MolecularWeight: 280.28138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NNC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NNC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O2/c1-10-9-12(7-8-13(10)19(20)21)15-16-14(17-18-15)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18)