(E)-but-2-enedioic acid; 2-[1-(dimethylamino)cyclopropyl]ethyl N-methylcarbamate

Systemtic Name: (E)-but-2-enedioic acid; 2-[1-(dimethylamino)cyclopropyl]ethyl N-methylcarbamate Openeye Name: 2-[1-(dimethylamino)cyclopropyl]ethyl N-methylcarbamate; fumaric acid CAS Name: (E)-2-butenedioic acid; N-methylcarbamic acid 2-[1-(dimethylamino)cyclopropyl]ethyl ester IUPAC Name: (E)-but-2-enedioic acid; 2-[1-(dimethylamino)cyclopropyl]ethyl N-methylcarbamate Traditional Name: fumaric acid; N-methylcarbamic acid 2-[1-(dimethylamino)cyclopropyl]ethyl ester Formula: C13H22N2O6 MolecularWeight: 302.32358

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OCCC1(CC1)N(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNC(=O)OCCC1(CC1)N(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H18N2O2.C4H4O4/c1-10-8(12)13-7-6-9(4-5-9)11(2)3;5-3(6)1-2-4(7)8/h4-7H2,1-3H3,(H,10,12);1-2H,(H,5,6)(H,7,8)/b;2-1+