4-(3,5-dimethylphenoxy)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine

Systemtic Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine Openeye Name: 4-(3,5-dimethylphenoxy)-6-(4-isopropylphenoxy)-5-nitro-pyrimidine CAS Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine IUPAC Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine Traditional Name: 4-(3,5-dimethylphenoxy)-6-(4-isopropylphenoxy)-5-nitro-pyrimidine Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])OC3=CC=C(C=C3)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])OC3=CC=C(C=C3)C(C)C)C

InChI

InChI=1S/C21H21N3O4/c1-13(2)16-5-7-17(8-6-16)27-20-19(24(25)26)21(23-12-22-20)28-18-10-14(3)9-15(4)11-18/h5-13H,1-4H3