dimethyl 3-[4-[3-(3-bromanyl-4-fluoranyl-phenyl)prop-2-enoylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[3-(3-bromanyl-4-fluoranyl-phenyl)prop-2-enoylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[3-(3-bromo-4-fluoro-phenyl)prop-2-enoylamino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[3-(3-bromo-4-fluorophenyl)-1-oxoprop-2-enyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[3-(3-bromo-4-fluorophenyl)prop-2-enoylamino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[[3-(3-bromo-4-fluoro-phenyl)acryloyl]amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C19H19BrFN3O5 MolecularWeight: 468.273663

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C=CC2=CC(=C(C=C2)F)Br

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C=CC2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C19H19BrFN3O5/c1-28-18(26)8-14(9-19(27)29-2)24-11-13(10-22-24)23-17(25)6-4-12-3-5-16(21)15(20)7-12/h3-7,10-11,14H,8-9H2,1-2H3,(H,23,25)