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

Systemtic Name: N-(benzotriazol-1-ylmethyl)-3-nitro-aniline Openeye Name: N-(benzotriazol-1-ylmethyl)-3-nitro-aniline CAS Name: N-(1-benzotriazolylmethyl)-3-nitroaniline IUPAC Name: N-(benzotriazol-1-ylmethyl)-3-nitroaniline Traditional Name: benzotriazol-1-ylmethyl-(3-nitrophenyl)amine Formula: C13H11N5O2 MolecularWeight: 269.25874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CNC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CNC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O2/c19-18(20)11-5-3-4-10(8-11)14-9-17-13-7-2-1-6-12(13)15-16-17/h1-8,14H,9H2