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

Systemtic Name: methyl 2-[[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(C)C3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(C)C3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C21H20N4O5/c1-13-9-14(2)11-15(10-13)30-20-18(25(27)28)19(22-12-23-20)24(3)17-8-6-5-7-16(17)21(26)29-4/h5-12H,1-4H3