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

Systemtic Name: 2-methylpropyl 4-[(5-nitro-6-propan-2-yloxy-pyrimidin-4-yl)amino]benzoate Openeye Name: isobutyl 4-[(6-isopropoxy-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(5-nitro-6-propan-2-yloxy-4-pyrimidinyl)amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(5-nitro-6-propan-2-yloxypyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(6-isopropoxy-5-nitro-pyrimidin-4-yl)amino]benzoic acid isobutyl ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5/c1-11(2)9-26-18(23)13-5-7-14(8-6-13)21-16-15(22(24)25)17(20-10-19-16)27-12(3)4/h5-8,10-12H,9H2,1-4H3,(H,19,20,21)