4-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine Openeye Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-6-(4-isopropylphenoxy)-5-nitro-pyrimidine CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine IUPAC Name: 4-(4-chloro-3,5-dimethylphenoxy)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-6-(4-isopropylphenoxy)-5-nitro-pyrimidine Formula: C21H20ClN3O4 MolecularWeight: 413.8542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])OC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])OC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H20ClN3O4/c1-12(2)15-5-7-16(8-6-15)28-20-19(25(26)27)21(24-11-23-20)29-17-9-13(3)18(22)14(4)10-17/h5-12H,1-4H3