2-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]heptanedioic acid

Systemtic Name: 2-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]heptanedioic acid Openeye Name: 2-[[(E)-4-hydroxy-4-oxo-but-2-enoyl]amino]heptanedioic acid CAS Name: 2-[[(E)-4-hydroxy-1,4-dioxobut-2-enyl]amino]heptanedioic acid IUPAC Name: 2-[[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]heptanedioic acid Traditional Name: 2-[[(E)-4-hydroxy-4-keto-but-2-enoyl]amino]pimelic acid Formula: C11H15NO7 MolecularWeight: 273.2393

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)O)CC(C(=O)O)NC(=O)C=CC(=O)O

Isomeric SMILES

C(CCC(=O)O)CC(C(=O)O)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C11H15NO7/c13-8(5-6-10(16)17)12-7(11(18)19)3-1-2-4-9(14)15/h5-7H,1-4H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/b6-5+