(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-[(4-methoxyphenyl)carbonylamino]ethanoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-[(4-methoxyphenyl)carbonylamino]ethanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-[(4-methoxybenzoyl)amino]acetate CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]amino]acetic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-[(4-methoxybenzoyl)amino]acetate Traditional Name: 2-(p-anisoylamino)acetic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4/c1-14-18(20(22)25(24-14)16-6-4-3-5-7-16)13-29-19(26)12-23-21(27)15-8-10-17(28-2)11-9-15/h3-11H,12-13H2,1-2H3,(H,23,27)