dimethyl 3-[4-[(2-chloranyl-6-methyl-pyridin-3-yl)carbonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(2-chloranyl-6-methyl-pyridin-3-yl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(2-chloro-6-methyl-pyridine-3-carbonyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[(2-chloro-6-methyl-3-pyridinyl)-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(2-chloro-6-methylpyridine-3-carbonyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(2-chloro-6-methyl-nicotinoyl)amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C17H19ClN4O5 MolecularWeight: 394.80956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC)Cl

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC)Cl

InChI

InChI=1S/C17H19ClN4O5/c1-10-4-5-13(16(18)20-10)17(25)21-11-8-19-22(9-11)12(6-14(23)26-2)7-15(24)27-3/h4-5,8-9,12H,6-7H2,1-3H3,(H,21,25)