4-(4-chloranyl-3,5-dimethyl-phenoxy)-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidine

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-phenoxy)-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidine Openeye Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidine CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)-6-(3,5-dimethylphenoxy)-5-nitropyrimidine IUPAC Name: 4-(4-chloro-3,5-dimethylphenoxy)-6-(3,5-dimethylphenoxy)-5-nitropyrimidine Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidine Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(C(=NC=N2)OC3=CC(=C(C(=C3)C)Cl)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(C(=NC=N2)OC3=CC(=C(C(=C3)C)Cl)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H18ClN3O4/c1-11-5-12(2)7-15(6-11)27-19-18(24(25)26)20(23-10-22-19)28-16-8-13(3)17(21)14(4)9-16/h5-10H,1-4H3