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

Systemtic Name: 2-methylpropyl 4-[(5-nitro-6-pyridin-3-yloxy-pyrimidin-4-yl)amino]benzoate Openeye Name: isobutyl 4-[[5-nitro-6-(3-pyridyloxy)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(3-pyridinyloxy)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)amino]benzoate Traditional Name: 4-[[5-nitro-6-(3-pyridyloxy)pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5/c1-13(2)11-29-20(26)14-5-7-15(8-6-14)24-18-17(25(27)28)19(23-12-22-18)30-16-4-3-9-21-10-16/h3-10,12-13H,11H2,1-2H3,(H,22,23,24)