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

Systemtic Name: methyl 4-[[6-(dimethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(dimethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(dimethylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(dimethylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(dimethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C14H15N5O4 MolecularWeight: 317.3

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C14H15N5O4/c1-18(2)13-11(19(21)22)12(15-8-16-13)17-10-6-4-9(5-7-10)14(20)23-3/h4-8H,1-3H3,(H,15,16,17)