methyl 4-[5-nitro-6-(pyridin-4-ylamino)pyrimidin-4-yl]oxybenzoate

Systemtic Name: methyl 4-[5-nitro-6-(pyridin-4-ylamino)pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 4-[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[5-nitro-6-(pyridin-4-ylamino)-4-pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[5-nitro-6-(pyridin-4-ylamino)pyrimidin-4-yl]oxybenzoate Traditional Name: 4-[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]oxybenzoic acid methyl ester Formula: C17H13N5O5 MolecularWeight: 367.31562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N5O5/c1-26-17(23)11-2-4-13(5-3-11)27-16-14(22(24)25)15(19-10-20-16)21-12-6-8-18-9-7-12/h2-10H,1H3,(H,18,19,20,21)