dimethyl 3-[4-[(2-bromanyl-4,5-dimethoxy-phenyl)carbonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(2-bromanyl-4,5-dimethoxy-phenyl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(2-bromo-4,5-dimethoxy-benzoyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[(2-bromo-4,5-dimethoxyphenyl)-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(2-bromo-4,5-dimethoxybenzoyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(2-bromo-4,5-dimethoxy-benzoyl)amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C19H22BrN3O7 MolecularWeight: 484.29788

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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)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O7/c1-27-15-7-13(14(20)8-16(15)28-2)19(26)22-11-9-21-23(10-11)12(5-17(24)29-3)6-18(25)30-4/h7-10,12H,5-6H2,1-4H3,(H,22,26)