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

Systemtic Name: (E)-2-cyano-N-ethyl-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-ethyl-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-ethyl-3-[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-ethyl-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-ethyl-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(=CC1=CN(N=C1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)C#N

Isomeric SMILES

CCNC(=O)/C(=C/C1=CN(N=C1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H17N5O3/c1-2-23-21(27)16(13-22)11-17-14-25(18-8-4-3-5-9-18)24-20(17)15-7-6-10-19(12-15)26(28)29/h3-12,14H,2H2,1H3,(H,23,27)/b16-11+