1-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]benzotriazole

Systemtic Name: 1-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]benzotriazole Openeye Name: 1-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]benzotriazole CAS Name: 1-[6-(3,4-dimethylphenoxy)-5-nitro-4-pyrimidinyl]benzotriazole IUPAC Name: 1-[6-(3,4-dimethylphenoxy)-5-nitropyrimidin-4-yl]benzotriazole Traditional Name: 1-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]benzotriazole Formula: C18H14N6O3 MolecularWeight: 362.34216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N6O3/c1-11-7-8-13(9-12(11)2)27-18-16(24(25)26)17(19-10-20-18)23-15-6-4-3-5-14(15)21-22-23/h3-10H,1-2H3