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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)OCC

InChI

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