3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-(4-methoxy-2-nitro-phenyl)propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-(4-methoxy-2-nitro-phenyl)propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-(4-methoxy-2-nitrophenyl)propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-(4-methoxy-2-nitrophenyl)propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C13H12BrN5O6 MolecularWeight: 414.16828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C13H12BrN5O6/c1-25-8-2-3-10(11(6-8)18(21)22)15-12(20)4-5-17-7-9(14)13(16-17)19(23)24/h2-3,6-7H,4-5H2,1H3,(H,15,20)