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

Systemtic Name: methyl 4-[[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5/c1-12-8-13(2)10-16(9-12)29-19-17(24(26)27)18(21-11-22-19)23-15-6-4-14(5-7-15)20(25)28-3/h4-11H,1-3H3,(H,21,22,23)