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

Systemtic Name: 1-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]benzotriazole Openeye Name: 1-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]benzotriazole CAS Name: 1-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]benzotriazole IUPAC Name: 1-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]benzotriazole Traditional Name: 1-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]benzotriazole Formula: C18H13ClN6O3 MolecularWeight: 396.78722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H13ClN6O3/c1-10-7-12(8-11(2)15(10)19)28-18-16(25(26)27)17(20-9-21-18)24-14-6-4-3-5-13(14)22-23-24/h3-9H,1-2H3