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

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

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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=CC=C4)Br

Isomeric SMILES

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

InChI

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