methyl 2-[2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)-methyl-amino]acetyl]amino]benzoate CAS Name: 2-[[2-[[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-methylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-methylamino]acetyl]amino]benzoate Traditional Name: 2-[[2-[(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)-methyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C22H21ClN4O4 MolecularWeight: 440.87954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N(C)CC(=O)NC2=CC=CC=C2C(=O)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)N(C)CC(=O)NC2=CC=CC=C2C(=O)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H21ClN4O4/c1-14-19(20(23)27(25-14)15-9-5-4-6-10-15)21(29)26(2)13-18(28)24-17-12-8-7-11-16(17)22(30)31-3/h4-12H,13H2,1-3H3,(H,24,28)