N-[(4-methylphenyl)methyl]-4-nitro-aniline; 1H-1,2,4-triazole

Systemtic Name: N-[(4-methylphenyl)methyl]-4-nitro-aniline; 1H-1,2,4-triazole Openeye Name: 4-nitro-N-(p-tolylmethyl)aniline; 1H-1,2,4-triazole CAS Name: N-[(4-methylphenyl)methyl]-4-nitroaniline; 1H-1,2,4-triazole IUPAC Name: N-[(4-methylphenyl)methyl]-4-nitroaniline; 1H-1,2,4-triazole Traditional Name: (4-methylbenzyl)-(4-nitrophenyl)amine; 1H-1,2,4-triazole Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=CC=C(C=C2)[N+](=O)[O-].C1=NC=NN1

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=CC=C(C=C2)[N+](=O)[O-].C1=NC=NN1

InChI

InChI=1S/C14H14N2O2.C2H3N3/c1-11-2-4-12(5-3-11)10-15-13-6-8-14(9-7-13)16(17)18;1-3-2-5-4-1/h2-9,15H,10H2,1H3;1-2H,(H,3,4,5)