O4-azanyl O1-[2-(2-cyanopyrrolidin-1-yl)ethanoyl] (E)-but-2-enedioate; cyclohexane

Systemtic Name: O4-azanyl O1-[2-(2-cyanopyrrolidin-1-yl)ethanoyl] (E)-but-2-enedioate; cyclohexane Openeye Name: O4-amino O1-[2-(2-cyanopyrrolidin-1-yl)acetyl] (E)-but-2-enedioate; cyclohexane CAS Name: (E)-2-butenedioic acid O4-amino ester O1-[2-(2-cyano-1-pyrrolidinyl)-1-oxoethyl] ester; cyclohexane IUPAC Name: 4-O-amino 1-O-[2-(2-cyanopyrrolidin-1-yl)acetyl] (E)-but-2-enedioate; cyclohexane Traditional Name: (E)-but-2-enedioic acid O4-amino ester O1-[2-(2-cyanopyrrolidino)acetyl] ester; cyclohexane Formula: C17H25N3O5 MolecularWeight: 351.3975

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCC1.C1CC(N(C1)CC(=O)OC(=O)C=CC(=O)ON)C#N

Isomeric SMILES

C1CCCCC1.C1CC(N(C1)CC(=O)OC(=O)/C=C/C(=O)ON)C#N

InChI

InChI=1S/C11H13N3O5.C6H12/c12-6-8-2-1-5-14(8)7-11(17)18-9(15)3-4-10(16)19-13;1-2-4-6-5-3-1/h3-4,8H,1-2,5,7,13H2;1-6H2/b4-3+;