N,N-bis(benzotriazol-1-ylmethyl)-3-nitro-aniline

Systemtic Name: N,N-bis(benzotriazol-1-ylmethyl)-3-nitro-aniline Openeye Name: N,N-bis(benzotriazol-1-ylmethyl)-3-nitro-aniline CAS Name: N,N-bis(1-benzotriazolylmethyl)-3-nitroaniline IUPAC Name: N,N-bis(benzotriazol-1-ylmethyl)-3-nitroaniline Traditional Name: bis(benzotriazol-1-ylmethyl)-(3-nitrophenyl)amine Formula: C20H16N8O2 MolecularWeight: 400.39344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CN(CN3C4=CC=CC=C4N=N3)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CN(CN3C4=CC=CC=C4N=N3)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H16N8O2/c29-28(30)16-7-5-6-15(12-16)25(13-26-19-10-3-1-8-17(19)21-23-26)14-27-20-11-4-2-9-18(20)22-24-27/h1-12H,13-14H2