1-[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]benzotriazole

Systemtic Name: 1-[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]benzotriazole Openeye Name: 1-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]benzotriazole CAS Name: 1-[6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinyl]benzotriazole IUPAC Name: 1-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]benzotriazole Traditional Name: 1-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]benzotriazole Formula: C17H11ClN6O3 MolecularWeight: 382.76064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3)Cl

InChI

InChI=1S/C17H11ClN6O3/c1-10-8-11(6-7-12(10)18)27-17-15(24(25)26)16(19-9-20-17)23-14-5-3-2-4-13(14)21-22-23/h2-9H,1H3