dimethyl 5-[(5-nitro-6-propan-2-yloxy-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(5-nitro-6-propan-2-yloxy-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(6-isopropoxy-5-nitro-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(5-nitro-6-propan-2-yloxy-4-pyrimidinyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-nitro-6-propan-2-yloxypyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(6-isopropoxy-5-nitro-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H18N4O7 MolecularWeight: 390.34742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)OC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H18N4O7/c1-9(2)28-15-13(21(24)25)14(18-8-19-15)20-12-6-10(16(22)26-3)5-11(7-12)17(23)27-4/h5-9H,1-4H3,(H,18,19,20)