methyl 4-[(5-nitro-6-pyridin-3-yloxy-pyrimidin-4-yl)amino]benzoate

Systemtic Name: methyl 4-[(5-nitro-6-pyridin-3-yloxy-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 4-[[5-nitro-6-(3-pyridyloxy)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(3-pyridinyloxy)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)amino]benzoate Traditional Name: 4-[[5-nitro-6-(3-pyridyloxy)pyrimidin-4-yl]amino]benzoic 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)NC2=C(C(=NC=N2)OC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CN=CC=C3)[N+](=O)[O-]

InChI

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