ethyl 4-[[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c1-4-29-21(26)15-5-7-16(8-6-15)24-19-18(25(27)28)20(23-12-22-19)30-17-10-13(2)9-14(3)11-17/h5-12H,4H2,1-3H3,(H,22,23,24)