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

Systemtic Name: 3-[4-[(E)-3-(4-chloranyl-3-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-3-(4-chloro-3-nitro-phenyl)-3-oxo-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-3-(4-chloro-3-nitrophenyl)-3-oxoprop-1-enyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-3-(4-chloro-3-nitrophenyl)-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-3-(4-chloro-3-nitro-phenyl)-3-keto-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C21H15ClN4O3 MolecularWeight: 406.8218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN4O3/c22-18-9-7-16(13-19(18)26(28)29)20(27)10-8-17-14-25(12-4-11-23)24-21(17)15-5-2-1-3-6-15/h1-3,5-10,13-14H,4,12H2/b10-8+