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

Systemtic Name: methyl 2-[methyl-(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 2-[methyl-(6-morpholino-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 2-[methyl-[6-(4-morpholinyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 2-[methyl-(6-morpholino-5-nitro-pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C17H19N5O5 MolecularWeight: 373.36326

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C17H19N5O5/c1-20(13-6-4-3-5-12(13)17(23)26-2)15-14(22(24)25)16(19-11-18-15)21-7-9-27-10-8-21/h3-6,11H,7-10H2,1-2H3