2-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]pentanedioic acid

Systemtic Name: 2-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]pentanedioic acid Openeye Name: 2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pentanedioic acid CAS Name: 2-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]pentanedioic acid IUPAC Name: 2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pentanedioic acid Traditional Name: 2-[[(Z)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]glutaric acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNC(CCC(=O)O)C(=O)O)C(=O)C=C1

Isomeric SMILES

C1=C/C(=C/NC(CCC(=O)O)C(=O)O)/C(=O)C=C1

InChI

InChI=1S/C12H13NO5/c14-10-4-2-1-3-8(10)7-13-9(12(17)18)5-6-11(15)16/h1-4,7,9,13H,5-6H2,(H,15,16)(H,17,18)/b8-7-