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

Systemtic Name: [5-bromanyl-1-(4-methylphenyl)-3-(5-nitrofuran-2-yl)pyrazol-4-yl]-phenyl-methanone Openeye Name: [5-bromo-3-(5-nitro-2-furyl)-1-(p-tolyl)pyrazol-4-yl]-phenyl-methanone CAS Name: [5-bromo-1-(4-methylphenyl)-3-(5-nitro-2-furanyl)-4-pyrazolyl]-phenylmethanone IUPAC Name: [5-bromo-1-(4-methylphenyl)-3-(5-nitrofuran-2-yl)pyrazol-4-yl]-phenylmethanone Traditional Name: [5-bromo-3-(5-nitro-2-furyl)-1-(p-tolyl)pyrazol-4-yl]-phenyl-methanone Formula: C21H14BrN3O4 MolecularWeight: 452.25756

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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=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrN3O4/c1-13-7-9-15(10-8-13)24-21(22)18(20(26)14-5-3-2-4-6-14)19(23-24)16-11-12-17(29-16)25(27)28/h2-12H,1H3