3-[4-[(E)-3-(3-nitrophenyl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-3-(3-nitrophenyl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-3-(3-nitrophenyl)-3-oxo-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-3-(3-nitrophenyl)-3-oxoprop-1-enyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-3-(3-nitrophenyl)-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-3-keto-3-(3-nitrophenyl)prop-1-enyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O3/c22-12-5-13-24-15-18(21(23-24)16-6-2-1-3-7-16)10-11-20(26)17-8-4-9-19(14-17)25(27)28/h1-4,6-11,14-15H,5,13H2/b11-10+