ethyl 3-[[6-(diethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-(diethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(diethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(diethylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(diethylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(diethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC(=C2)C(=O)OCC

Isomeric SMILES

CCN(CC)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC(=C2)C(=O)OCC

InChI

InChI=1S/C17H21N5O4/c1-4-21(5-2)16-14(22(24)25)15(18-11-19-16)20-13-9-7-8-12(10-13)17(23)26-6-3/h7-11H,4-6H2,1-3H3,(H,18,19,20)