ethyl (Z)-2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: ethyl (Z)-2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: ethyl (Z)-2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-cyano-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid ethyl ester Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O4/c1-2-29-21(26)16(13-22)12-17-14-24(18-6-4-3-5-7-18)23-20(17)15-8-10-19(11-9-15)25(27)28/h3-12,14H,2H2,1H3/b16-12-