3-[4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-2-(5-nitro-2-quinolyl)vinyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-2-(5-nitro-2-quinolinyl)ethenyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-2-(5-nitro-2-quinolyl)vinyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C23H17N5O2 MolecularWeight: 395.41338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=CC3=NC4=C(C=C3)C(=CC=C4)[N+](=O)[O-])CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C/C3=NC4=C(C=C3)C(=CC=C4)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C23H17N5O2/c24-14-5-15-27-16-18(23(26-27)17-6-2-1-3-7-17)10-11-19-12-13-20-21(25-19)8-4-9-22(20)28(29)30/h1-4,6-13,16H,5,15H2/b11-10+