O1-ethyl O4-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[2-(isopropylcarbamoylamino)-2-oxo-ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C12H18N2O6 MolecularWeight: 286.28112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)NC(=O)NC(C)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)NC(=O)NC(C)C

InChI

InChI=1S/C12H18N2O6/c1-4-19-10(16)5-6-11(17)20-7-9(15)14-12(18)13-8(2)3/h5-6,8H,4,7H2,1-3H3,(H2,13,14,15,18)/b6-5+