6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C10H7N7O2 MolecularWeight: 257.20828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)N)[N+](=O)[O-]

InChI

InChI=1S/C10H7N7O2/c11-9-8(17(18)19)10(13-5-12-9)16-7-4-2-1-3-6(7)14-15-16/h1-5H,(H2,11,12,13)