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

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

CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC(=C2)C(=O)OCC

Isomeric SMILES

CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC(=C2)C(=O)OCC

InChI

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