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

Systemtic Name: N-[(4-bromophenyl)methyl]-4-nitro-aniline; 1H-1,2,4-triazole Openeye Name: N-[(4-bromophenyl)methyl]-4-nitro-aniline; 1H-1,2,4-triazole CAS Name: N-[(4-bromophenyl)methyl]-4-nitroaniline; 1H-1,2,4-triazole IUPAC Name: N-[(4-bromophenyl)methyl]-4-nitroaniline; 1H-1,2,4-triazole Traditional Name: (4-bromobenzyl)-(4-nitrophenyl)amine; 1H-1,2,4-triazole Formula: C15H14BrN5O2 MolecularWeight: 376.20796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC=C(C=C2)[N+](=O)[O-])Br.C1=NC=NN1

Isomeric SMILES

C1=CC(=CC=C1CNC2=CC=C(C=C2)[N+](=O)[O-])Br.C1=NC=NN1

InChI

InChI=1S/C13H11BrN2O2.C2H3N3/c14-11-3-1-10(2-4-11)9-15-12-5-7-13(8-6-12)16(17)18;1-3-2-5-4-1/h1-8,15H,9H2;1-2H,(H,3,4,5)