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

Systemtic Name: methyl 2-[[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H20N4O5/c1-13(2)14-8-10-15(11-9-14)30-20-18(25(27)28)19(22-12-23-20)24-17-7-5-4-6-16(17)21(26)29-3/h4-13H,1-3H3,(H,22,23,24)