ethyl 3-[[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O5/c1-4-30-22(27)16-6-5-7-17(12-16)25-20-19(26(28)29)21(24-13-23-20)31-18-10-8-15(9-11-18)14(2)3/h5-14H,4H2,1-3H3,(H,23,24,25)