dimethyl 3-[4-[3-(furan-3-yl)prop-2-enoylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[3-(furan-3-yl)prop-2-enoylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[3-(3-furyl)prop-2-enoylamino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[3-(3-furanyl)-1-oxoprop-2-enyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[3-(furan-3-yl)prop-2-enoylamino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[[3-(3-furyl)acryloyl]amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6/c1-24-16(22)7-14(8-17(23)25-2)20-10-13(9-18-20)19-15(21)4-3-12-5-6-26-11-12/h3-6,9-11,14H,7-8H2,1-2H3,(H,19,21)