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

Systemtic Name: methyl 4-[[6-(diethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(diethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(diethylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(diethylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(diethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O4/c1-4-20(5-2)15-13(21(23)24)14(17-10-18-15)19-12-8-6-11(7-9-12)16(22)25-3/h6-10H,4-5H2,1-3H3,(H,17,18,19)