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

Systemtic Name: methyl 2-[[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(4-ethylphenoxy)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(4-ethylphenoxy)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(4-ethylphenoxy)-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:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H18N4O5/c1-3-13-8-10-14(11-9-13)29-19-17(24(26)27)18(21-12-22-19)23-16-7-5-4-6-15(16)20(25)28-2/h4-12H,3H2,1-2H3,(H,21,22,23)