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

Systemtic Name: N-(benzotriazol-1-ylmethyl)-5-nitro-pyridin-1-ium-2-amine Openeye Name: N-(benzotriazol-1-ylmethyl)-5-nitro-pyridin-1-ium-2-amine CAS Name: N-(1-benzotriazolylmethyl)-5-nitro-2-pyridin-1-iumamine IUPAC Name: N-(benzotriazol-1-ylmethyl)-5-nitropyridin-1-ium-2-amine Traditional Name: benzotriazol-1-ylmethyl-(5-nitropyridin-1-ium-2-yl)amine Formula: C12H11N6O2+ MolecularWeight: 271.25474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N6O2/c19-18(20)9-5-6-12(13-7-9)14-8-17-11-4-2-1-3-10(11)15-16-17/h1-7H,8H2,(H,13,14)/p+1