ethyl 3-[(5-nitro-6-propan-2-yloxy-pyrimidin-4-yl)amino]benzoate

Systemtic Name: ethyl 3-[(5-nitro-6-propan-2-yloxy-pyrimidin-4-yl)amino]benzoate Openeye Name: ethyl 3-[(6-isopropoxy-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 3-[(5-nitro-6-propan-2-yloxy-4-pyrimidinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(5-nitro-6-propan-2-yloxypyrimidin-4-yl)amino]benzoate Traditional Name: 3-[(6-isopropoxy-5-nitro-pyrimidin-4-yl)amino]benzoic acid ethyl ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O5/c1-4-24-16(21)11-6-5-7-12(8-11)19-14-13(20(22)23)15(18-9-17-14)25-10(2)3/h5-10H,4H2,1-3H3,(H,17,18,19)