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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCOCC3

InChI

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