(E)-2-cyano-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-phenethyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-phenethyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-phenethyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[4-methoxy-3-[(4-nitro-1-pyrazolyl)methyl]phenyl]-N-phenethyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-phenethylprop-2-enamide Traditional Name: (E)-2-cyano-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-phenethyl-acrylamide Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NCCC2=CC=CC=C2)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCCC2=CC=CC=C2)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O4/c1-32-22-8-7-18(12-20(22)15-27-16-21(14-26-27)28(30)31)11-19(13-24)23(29)25-10-9-17-5-3-2-4-6-17/h2-8,11-12,14,16H,9-10,15H2,1H3,(H,25,29)/b19-11+