3-(4-bromophenyl)-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1-phenyl-pyrazole

Systemtic Name: 3-(4-bromophenyl)-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1-phenyl-pyrazole Openeye Name: 3-(4-bromophenyl)-4-[(E)-2-(5-nitro-2-furyl)vinyl]-1-phenyl-pyrazole CAS Name: 3-(4-bromophenyl)-4-[(E)-2-(5-nitro-2-furanyl)ethenyl]-1-phenylpyrazole IUPAC Name: 3-(4-bromophenyl)-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1-phenylpyrazole Traditional Name: 3-(4-bromophenyl)-4-[(E)-2-(5-nitro-2-furyl)vinyl]-1-phenyl-pyrazole Formula: C21H14BrN3O3 MolecularWeight: 436.25816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)/C=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C21H14BrN3O3/c22-17-9-6-15(7-10-17)21-16(8-11-19-12-13-20(28-19)25(26)27)14-24(23-21)18-4-2-1-3-5-18/h1-14H/b11-8+