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

Systemtic Name: methyl 2-[[6-(diethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-(diethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-(diethylamino)-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(diethylamino)-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-(diethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl 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-])N(C)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCN(CC)C1=NC=NC(=C1[N+](=O)[O-])N(C)C2=CC=CC=C2C(=O)OC

InChI

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