3-[(E)-2-(2-bromophenyl)ethenyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one

Systemtic Name: 3-[(E)-2-(2-bromophenyl)ethenyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one Openeye Name: 3-[(E)-2-(2-bromophenyl)vinyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one CAS Name: 3-[(E)-2-(2-bromophenyl)ethenyl]-1-(4-nitrophenyl)-8-cyclohepta[c]pyrazolone IUPAC Name: 3-[(E)-2-(2-bromophenyl)ethenyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one Traditional Name: 3-[(E)-2-(2-bromophenyl)vinyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one Formula: C22H14BrN3O3 MolecularWeight: 448.26886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC2=NN(C3=C2C=CC=CC3=O)C4=CC=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C2=NN(C3=C2C=CC=CC3=O)C4=CC=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C22H14BrN3O3/c23-19-7-3-1-5-15(19)9-14-20-18-6-2-4-8-21(27)22(18)25(24-20)16-10-12-17(13-11-16)26(28)29/h1-14H/b14-9+