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

Systemtic Name: methyl 2-methoxy-6-[(E)-2-(3-methyl-1-phenyl-pyrazol-4-yl)ethenyl]benzoate hydrochloride Openeye Name: methyl 2-methoxy-6-[(E)-2-(3-methyl-1-phenyl-pyrazol-4-yl)vinyl]benzoate hydrochloride CAS Name: 2-methoxy-6-[(E)-2-(3-methyl-1-phenyl-4-pyrazolyl)ethenyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-methoxy-6-[(E)-2-(3-methyl-1-phenylpyrazol-4-yl)ethenyl]benzoate hydrochloride Traditional Name: 2-methoxy-6-[(E)-2-(3-methyl-1-phenyl-pyrazol-4-yl)vinyl]benzoic acid methyl ester hydrochloride Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3.ClH/c1-15-17(14-23(22-15)18-9-5-4-6-10-18)13-12-16-8-7-11-19(25-2)20(16)21(24)26-3;/h4-14H,1-3H3;1H/b13-12+;