2-[2-cyano-4-(3-methoxy-3-oxidanylidene-propyl)-2,3-dimethyl-5-oxidanylidene-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[2-cyano-4-(3-methoxy-3-oxidanylidene-propyl)-2,3-dimethyl-5-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[2-cyano-4-(3-methoxy-3-oxo-propyl)-2,3-dimethyl-5-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[2-cyano-4-(3-methoxy-3-oxopropyl)-2,3-dimethyl-5-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[2-cyano-4-(3-methoxy-3-oxopropyl)-2,3-dimethyl-5-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[2-cyano-5-keto-4-(3-keto-3-methoxy-propyl)-2,3-dimethyl-pyrrolidin-3-yl]acetic acid Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)NC1(C)C#N)CCC(=O)OC)CC(=O)O

Isomeric SMILES

CC1(C(C(=O)NC1(C)C#N)CCC(=O)OC)CC(=O)O

InChI

InChI=1S/C13H18N2O5/c1-12(6-9(16)17)8(4-5-10(18)20-3)11(19)15-13(12,2)7-14/h8H,4-6H2,1-3H3,(H,15,19)(H,16,17)