3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxy-phenyl)propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxy-phenyl)propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[3-nitro-5-(3-pyridyloxy)phenyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[3-nitro-5-(3-pyridinyloxy)phenyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[3-nitro-5-(3-pyridyloxy)phenyl]propionamide Formula: C17H13BrN6O6 MolecularWeight: 477.22572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CN=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H13BrN6O6/c18-15-10-22(21-17(15)24(28)29)5-3-16(25)20-11-6-12(23(26)27)8-14(7-11)30-13-2-1-4-19-9-13/h1-2,4,6-10H,3,5H2,(H,20,25)