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

Systemtic Name: methyl 2-[[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(3,4-dimethylphenoxy)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(3,4-dimethylphenoxy)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C(=O)OC)C

InChI

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