2-[1-(5-carboxypyrazolidin-1-yl)-1-oxidanylidene-butan-2-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[1-(5-carboxypyrazolidin-1-yl)-1-oxidanylidene-butan-2-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[1-(5-carboxypyrazolidine-1-carbonyl)propyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[1-(5-carboxy-1-pyrazolidinyl)-1-oxobutan-2-yl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[1-(5-carboxypyrazolidin-1-yl)-1-oxobutan-2-yl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[1-(5-carboxypyrazolidine-1-carbonyl)propyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C17H17N3O7 MolecularWeight: 375.33278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C(CCN1)C(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O

Isomeric SMILES

CCC(C(=O)N1C(CCN1)C(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O

InChI

InChI=1S/C17H17N3O7/c1-2-11(15(23)20-12(17(26)27)5-6-18-20)19-13(21)9-4-3-8(16(24)25)7-10(9)14(19)22/h3-4,7,11-12,18H,2,5-6H2,1H3,(H,24,25)(H,26,27)