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

Systemtic Name: methyl 2-[[6-(dimethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-(dimethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-(dimethylamino)-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(dimethylamino)-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-(dimethylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O4/c1-18(2)13-12(20(22)23)14(17-9-16-13)19(3)11-8-6-5-7-10(11)15(21)24-4/h5-9H,1-4H3