(E)-2-cyano-N-(2-ethoxyphenyl)-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2-ethoxyphenyl)-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(2-ethoxyphenyl)-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-(2-ethoxyphenyl)-3-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(2-ethoxyphenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-o-phenetyl-acrylamide Formula: C27H21N5O4 MolecularWeight: 479.48674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)/C#N

InChI

InChI=1S/C27H21N5O4/c1-2-36-25-11-7-6-10-24(25)29-27(33)20(17-28)16-21-18-31(22-8-4-3-5-9-22)30-26(21)19-12-14-23(15-13-19)32(34)35/h3-16,18H,2H2,1H3,(H,29,33)/b20-16+