(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl (E)-3-quinoxalin-2-ylprop-2-enoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl (E)-3-quinoxalin-2-ylprop-2-enoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl (E)-3-quinoxalin-2-ylprop-2-enoate CAS Name: (E)-3-(2-quinoxalinyl)-2-propenoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl (E)-3-quinoxalin-2-ylprop-2-enoate Traditional Name: (E)-3-quinoxalin-2-ylacrylic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C22H17ClN4O2 MolecularWeight: 404.84898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C=CC2=NC3=CC=CC=C3N=C2)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)/C=C/C2=NC3=CC=CC=C3N=C2)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H17ClN4O2/c1-15-18(22(23)27(26-15)17-7-3-2-4-8-17)14-29-21(28)12-11-16-13-24-19-9-5-6-10-20(19)25-16/h2-13H,14H2,1H3/b12-11+