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

Systemtic Name: 2-methylpropyl 4-[[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C24H26N4O5 MolecularWeight: 450.48704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O5/c1-15(2)13-32-24(29)18-5-9-19(10-6-18)27-22-21(28(30)31)23(26-14-25-22)33-20-11-7-17(8-12-20)16(3)4/h5-12,14-16H,13H2,1-4H3,(H,25,26,27)