2-[[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)iminocyclohexa-2,5-dien-1-ylidene]amino]propanoic acid

Systemtic Name: 2-[[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)iminocyclohexa-2,5-dien-1-ylidene]amino]propanoic acid Openeye Name: 2-[[4-(2-hydroxy-1-methyl-2-oxo-ethyl)iminocyclohexa-2,5-dien-1-ylidene]amino]propanoic acid CAS Name: 2-[[4-(1-hydroxy-1-oxopropan-2-yl)imino-1-cyclohexa-2,5-dienylidene]amino]propanoic acid IUPAC Name: 2-[[4-(1-hydroxy-1-oxopropan-2-yl)iminocyclohexa-2,5-dien-1-ylidene]amino]propanoic acid Traditional Name: 2-[[4-(2-hydroxy-2-keto-1-methyl-ethyl)iminocyclohexa-2,5-dien-1-ylidene]amino]propionic acid Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N=C1C=CC(=NC(C)C(=O)O)C=C1

Isomeric SMILES

CC(C(=O)O)N=C1C=CC(=NC(C)C(=O)O)C=C1

InChI

InChI=1S/C12H14N2O4/c1-7(11(15)16)13-9-3-5-10(6-4-9)14-8(2)12(17)18/h3-8H,1-2H3,(H,15,16)(H,17,18)