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

Systemtic Name: ethyl 3-[(5-nitro-6-pyridin-3-yloxy-pyrimidin-4-yl)amino]benzoate Openeye Name: ethyl 3-[[5-nitro-6-(3-pyridyloxy)pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-nitro-6-(3-pyridinyloxy)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)amino]benzoate Traditional Name: 3-[[5-nitro-6-(3-pyridyloxy)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C18H15N5O5 MolecularWeight: 381.3422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O5/c1-2-27-18(24)12-5-3-6-13(9-12)22-16-15(23(25)26)17(21-11-20-16)28-14-7-4-8-19-10-14/h3-11H,2H2,1H3,(H,20,21,22)