ethyl 2-[(E)-2-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)ethenyl]-6-methoxy-benzoate

Systemtic Name: ethyl 2-[(E)-2-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)ethenyl]-6-methoxy-benzoate Openeye Name: ethyl 2-[(E)-2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)vinyl]-6-methoxy-benzoate CAS Name: 2-[(E)-2-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)ethenyl]-6-methoxybenzoic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)ethenyl]-6-methoxybenzoate Traditional Name: 2-[(E)-2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)vinyl]-6-methoxy-benzoic acid ethyl ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC=C1OC)C=CC2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC=C1OC)/C=C/C2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H21ClN2O3/c1-4-28-22(26)20-16(9-8-12-19(20)27-3)13-14-18-15(2)24-25(21(18)23)17-10-6-5-7-11-17/h5-14H,4H2,1-3H3/b14-13+