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

Systemtic Name: [5-bromanyl-1-(4-methylphenyl)-3-(5-nitrofuran-2-yl)pyrazol-4-yl]-(4-methylphenyl)methanone Openeye Name: [5-bromo-3-(5-nitro-2-furyl)-1-(p-tolyl)pyrazol-4-yl]-(p-tolyl)methanone CAS Name: [5-bromo-1-(4-methylphenyl)-3-(5-nitro-2-furanyl)-4-pyrazolyl]-(4-methylphenyl)methanone IUPAC Name: [5-bromo-1-(4-methylphenyl)-3-(5-nitrofuran-2-yl)pyrazol-4-yl]-(4-methylphenyl)methanone Traditional Name: [5-bromo-3-(5-nitro-2-furyl)-1-(p-tolyl)pyrazol-4-yl]-(p-tolyl)methanone Formula: C22H16BrN3O4 MolecularWeight: 466.28414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(N(N=C2C3=CC=C(O3)[N+](=O)[O-])C4=CC=C(C=C4)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(N(N=C2C3=CC=C(O3)[N+](=O)[O-])C4=CC=C(C=C4)C)Br

InChI

InChI=1S/C22H16BrN3O4/c1-13-3-7-15(8-4-13)21(27)19-20(17-11-12-18(30-17)26(28)29)24-25(22(19)23)16-9-5-14(2)6-10-16/h3-12H,1-2H3