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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O4/c1-4-24-15(21)10-5-7-11(8-6-10)18-13-12(20(22)23)14(19(2)3)17-9-16-13/h5-9H,4H2,1-3H3,(H,16,17,18)