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

Systemtic Name: methyl 2-[(E)-2-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)ethenyl]-6-methoxy-benzoate hydrochloride Openeye Name: methyl 2-[(E)-2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)vinyl]-6-methoxy-benzoate hydrochloride CAS Name: 2-[(E)-2-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)ethenyl]-6-methoxybenzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-[(E)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)ethenyl]-6-methoxybenzoate hydrochloride Traditional Name: 2-[(E)-2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)vinyl]-6-methoxy-benzoic acid methyl ester hydrochloride Formula: C21H20Cl2N2O3 MolecularWeight: 419.3011

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC2=C(C(=CC=C2)OC)C(=O)OC)Cl)C3=CC=CC=C3.Cl

Isomeric SMILES

CC1=NN(C(=C1/C=C/C2=C(C(=CC=C2)OC)C(=O)OC)Cl)C3=CC=CC=C3.Cl

InChI

InChI=1S/C21H19ClN2O3.ClH/c1-14-17(20(22)24(23-14)16-9-5-4-6-10-16)13-12-15-8-7-11-18(26-2)19(15)21(25)27-3;/h4-13H,1-3H3;1H/b13-12+;