O1-cyclopropyl O3-[6-(4-ethoxycarbonylpiperazin-1-yl)-5-fluoranyl-pyridin-2-yl] (2E)-2-(azanylmethylidene)propanedioate

Systemtic Name: O1-cyclopropyl O3-[6-(4-ethoxycarbonylpiperazin-1-yl)-5-fluoranyl-pyridin-2-yl] (2E)-2-(azanylmethylidene)propanedioate Openeye Name: O1-cyclopropyl O3-[6-(4-ethoxycarbonylpiperazin-1-yl)-5-fluoro-2-pyridyl] (2E)-2-(aminomethylene)propanedioate CAS Name: (2E)-2-(aminomethylidene)propanedioic acid O1-cyclopropyl ester O3-[6-(4-ethoxycarbonyl-1-piperazinyl)-5-fluoro-2-pyridinyl] ester IUPAC Name: 1-O-cyclopropyl 3-O-[6-(4-ethoxycarbonylpiperazin-1-yl)-5-fluoropyridin-2-yl] (2E)-2-(aminomethylidene)propanedioate Traditional Name: (2E)-2-(aminomethylene)malonic acid O1-[6-(4-carbethoxypiperazino)-5-fluoro-2-pyridyl] ester O3-cyclopropyl ester Formula: C19H23FN4O6 MolecularWeight: 422.407523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=CC(=N2)OC(=O)C(=CN)C(=O)OC3CC3)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=CC(=N2)OC(=O)/C(=C/N)/C(=O)OC3CC3)F

InChI

InChI=1S/C19H23FN4O6/c1-2-28-19(27)24-9-7-23(8-10-24)16-14(20)5-6-15(22-16)30-18(26)13(11-21)17(25)29-12-3-4-12/h5-6,11-12H,2-4,7-10,21H2,1H3/b13-11+