dimethyl 5-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxobutyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H22ClN3O5 MolecularWeight: 407.84808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)N2C(=C(C(=N2)C)Cl)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)N2C(=C(C(=N2)C)Cl)C

InChI

InChI=1S/C19H22ClN3O5/c1-6-15(23-11(3)16(20)10(2)22-23)17(24)21-14-8-12(18(25)27-4)7-13(9-14)19(26)28-5/h7-9,15H,6H2,1-5H3,(H,21,24)