methyl 4-[[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC2=CC=C(C=C2)C(=O)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC2=CC=C(C=C2)C(=O)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3O3/c1-13-17(18(21)24(23-13)16-6-4-3-5-7-16)19(25)22-12-14-8-10-15(11-9-14)20(26)27-2/h3-11H,12H2,1-2H3,(H,22,25)