(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2,3,4-trimethoxybenzoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2,3,4-trimethoxybenzoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C2=C(C(=C(C=C2)OC)OC)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1COC(=O)C2=C(C(=C(C=C2)OC)OC)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O5/c1-13-16(20(22)24(23-13)14-8-6-5-7-9-14)12-29-21(25)15-10-11-17(26-2)19(28-4)18(15)27-3/h5-11H,12H2,1-4H3