2-[(5Z)-4,4-diethanoyl-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-5-pyrrol-2-ylidene-pyrrolidin-2-yl]propanoic acid

Systemtic Name: 2-[(5Z)-4,4-diethanoyl-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-5-pyrrol-2-ylidene-pyrrolidin-2-yl]propanoic acid Openeye Name: 2-[(5Z)-4,4-diacetyl-2-(2-hydroxy-1-methyl-2-oxo-ethyl)-5-pyrrol-2-ylidene-pyrrolidin-2-yl]propanoic acid CAS Name: 2-[(5Z)-4,4-diacetyl-2-(1-hydroxy-1-oxopropan-2-yl)-5-(2-pyrrolylidene)-2-pyrrolidinyl]propanoic acid IUPAC Name: 2-[(5Z)-4,4-diacetyl-2-(1-hydroxy-1-oxopropan-2-yl)-5-pyrrol-2-ylidenepyrrolidin-2-yl]propanoic acid Traditional Name: 2-[(5Z)-4,4-diacetyl-2-(2-hydroxy-2-keto-1-methyl-ethyl)-5-pyrrol-2-ylidene-pyrrolidin-2-yl]propionic acid Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)C1(CC(C(=C2C=CC=N2)N1)(C(=O)C)C(=O)C)C(C)C(=O)O

Isomeric SMILES

CC(C(=O)O)C1(CC(/C(=C/2\C=CC=N2)/N1)(C(=O)C)C(=O)C)C(C)C(=O)O

InChI

InChI=1S/C18H22N2O6/c1-9(15(23)24)18(10(2)16(25)26)8-17(11(3)21,12(4)22)14(20-18)13-6-5-7-19-13/h5-7,9-10,20H,8H2,1-4H3,(H,23,24)(H,25,26)/b14-13-