O1-methyl O4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl] (E)-but-2-enedioate

Systemtic Name: O1-methyl O4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl] (E)-but-2-enedioate Openeye Name: O1-methyl O4-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-methyl ester O4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: 1-O-methyl 4-O-[2-(4-methylpiperazin-1-yl)-2-oxoethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-keto-2-(4-methylpiperazino)ethyl] ester O1-methyl ester Formula: C12H18N2O5 MolecularWeight: 270.28172

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)COC(=O)C=CC(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)COC(=O)/C=C/C(=O)OC

InChI

InChI=1S/C12H18N2O5/c1-13-5-7-14(8-6-13)10(15)9-19-12(17)4-3-11(16)18-2/h3-4H,5-9H2,1-2H3/b4-3+