[5-bromanyl-1-(4-methylphenyl)-3-(5-nitrofuran-2-yl)pyrazol-4-yl]-(4-methoxyphenyl)methanone

Systemtic Name: [5-bromanyl-1-(4-methylphenyl)-3-(5-nitrofuran-2-yl)pyrazol-4-yl]-(4-methoxyphenyl)methanone Openeye Name: [5-bromo-3-(5-nitro-2-furyl)-1-(p-tolyl)pyrazol-4-yl]-(4-methoxyphenyl)methanone CAS Name: [5-bromo-1-(4-methylphenyl)-3-(5-nitro-2-furanyl)-4-pyrazolyl]-(4-methoxyphenyl)methanone IUPAC Name: [5-bromo-1-(4-methylphenyl)-3-(5-nitrofuran-2-yl)pyrazol-4-yl]-(4-methoxyphenyl)methanone Traditional Name: [5-bromo-3-(5-nitro-2-furyl)-1-(p-tolyl)pyrazol-4-yl]-(4-methoxyphenyl)methanone Formula: C22H16BrN3O5 MolecularWeight: 482.28354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC=C(O3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC=C(O3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)OC)Br

InChI

InChI=1S/C22H16BrN3O5/c1-13-3-7-15(8-4-13)25-22(23)19(21(27)14-5-9-16(30-2)10-6-14)20(24-25)17-11-12-18(31-17)26(28)29/h3-12H,1-2H3