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

Systemtic Name: 2-methylpropyl 4-[[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C23H24N4O5 MolecularWeight: 436.46046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OCC(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OCC(C)C)C

InChI

InChI=1S/C23H24N4O5/c1-14(2)12-31-23(28)17-5-7-18(8-6-17)26-21-20(27(29)30)22(25-13-24-21)32-19-10-15(3)9-16(4)11-19/h5-11,13-14H,12H2,1-4H3,(H,24,25,26)