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

Systemtic Name: 3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one Openeye Name: 1-(4-nitrophenyl)-3-[(E)-2-(p-tolyl)vinyl]cyclohepta[c]pyrazol-8-one CAS Name: 3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-nitrophenyl)-8-cyclohepta[c]pyrazolone IUPAC Name: 3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one Traditional Name: 1-(4-nitrophenyl)-3-[(E)-2-(p-tolyl)vinyl]cyclohepta[c]pyrazol-8-one Formula: C23H17N3O3 MolecularWeight: 383.39938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC2=NN(C3=C2C=CC=CC3=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C2=NN(C3=C2C=CC=CC3=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O3/c1-16-6-8-17(9-7-16)10-15-21-20-4-2-3-5-22(27)23(20)25(24-21)18-11-13-19(14-12-18)26(28)29/h2-15H,1H3/b15-10+