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

Systemtic Name: 3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one Openeye Name: 3-[(E)-2-(4-methoxyphenyl)vinyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one CAS Name: 3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-nitrophenyl)-8-cyclohepta[c]pyrazolone IUPAC Name: 3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one Traditional Name: 3-[(E)-2-(4-methoxyphenyl)vinyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one Formula: C23H17N3O4 MolecularWeight: 399.39878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC2=NN(C3=C2C=CC=CC3=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C2=NN(C3=C2C=CC=CC3=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O4/c1-30-19-13-6-16(7-14-19)8-15-21-20-4-2-3-5-22(27)23(20)25(24-21)17-9-11-18(12-10-17)26(28)29/h2-15H,1H3/b15-8+