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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(C)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(C)C3=CC=CC=C3C(=O)OC

InChI

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