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

Systemtic Name: ethyl 4-[[6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H19ClN4O5 MolecularWeight: 442.85236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O5/c1-4-30-21(27)14-5-7-15(8-6-14)25-19-18(26(28)29)20(24-11-23-19)31-16-9-12(2)17(22)13(3)10-16/h5-11H,4H2,1-3H3,(H,23,24,25)