dimethyl 3-[4-[(2-chloranyl-3,4-dimethoxy-phenyl)carbonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(2-chloranyl-3,4-dimethoxy-phenyl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(2-chloro-3,4-dimethoxy-benzoyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[(2-chloro-3,4-dimethoxyphenyl)-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(2-chloro-3,4-dimethoxybenzoyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(2-chloro-3,4-dimethoxy-benzoyl)amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C19H22ClN3O7 MolecularWeight: 439.84688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC)Cl)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC)Cl)OC

InChI

InChI=1S/C19H22ClN3O7/c1-27-14-6-5-13(17(20)18(14)30-4)19(26)22-11-9-21-23(10-11)12(7-15(24)28-2)8-16(25)29-3/h5-6,9-10,12H,7-8H2,1-4H3,(H,22,26)