N-(benzotriazol-1-ylmethyl)-5-bromanyl-3-nitro-pyridin-2-amine

Systemtic Name: N-(benzotriazol-1-ylmethyl)-5-bromanyl-3-nitro-pyridin-2-amine Openeye Name: N-(benzotriazol-1-ylmethyl)-5-bromo-3-nitro-pyridin-2-amine CAS Name: N-(1-benzotriazolylmethyl)-5-bromo-3-nitro-2-pyridinamine IUPAC Name: N-(benzotriazol-1-ylmethyl)-5-bromo-3-nitropyridin-2-amine Traditional Name: benzotriazol-1-ylmethyl-(5-bromo-3-nitro-2-pyridyl)amine Formula: C12H9BrN6O2 MolecularWeight: 349.14286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9BrN6O2/c13-8-5-11(19(20)21)12(14-6-8)15-7-18-10-4-2-1-3-9(10)16-17-18/h1-6H,7H2,(H,14,15)