4-(4-ethylphenoxy)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=C(C(=NC=N2)OC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=C(C(=NC=N2)OC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-4-15-5-9-17(10-6-15)27-20-19(24(25)26)21(23-13-22-20)28-18-11-7-16(8-12-18)14(2)3/h5-14H,4H2,1-3H3