N-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine

Systemtic Name: N-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine Openeye Name: N-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-5-methyl-isoxazol-3-amine CAS Name: N-[6-(1-benzotriazolyl)-5-nitro-4-pyrimidinyl]-5-methyl-3-isoxazolamine IUPAC Name: N-[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C14H10N8O3 MolecularWeight: 338.281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C14H10N8O3/c1-8-6-11(19-25-8)17-13-12(22(23)24)14(16-7-15-13)21-10-5-3-2-4-9(10)18-20-21/h2-7H,1H3,(H,15,16,17,19)