1-[(2-bromanyl-4,5-diethoxy-phenyl)methyl]-3,5-dimethyl-4-nitro-pyrazole

Systemtic Name: 1-[(2-bromanyl-4,5-diethoxy-phenyl)methyl]-3,5-dimethyl-4-nitro-pyrazole Openeye Name: 1-[(2-bromo-4,5-diethoxy-phenyl)methyl]-3,5-dimethyl-4-nitro-pyrazole CAS Name: 1-[(2-bromo-4,5-diethoxyphenyl)methyl]-3,5-dimethyl-4-nitropyrazole IUPAC Name: 1-[(2-bromo-4,5-diethoxyphenyl)methyl]-3,5-dimethyl-4-nitropyrazole Traditional Name: 1-(2-bromo-4,5-diethoxy-benzyl)-3,5-dimethyl-4-nitro-pyrazole Formula: C16H20BrN3O4 MolecularWeight: 398.2517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)Br)OCC

InChI

InChI=1S/C16H20BrN3O4/c1-5-23-14-7-12(13(17)8-15(14)24-6-2)9-19-11(4)16(20(21)22)10(3)18-19/h7-8H,5-6,9H2,1-4H3