sodium 2-[[2-[(Z)-4-oxidanylidenepent-2-en-2-yl]phenyl]amino]ethanoic acid

Systemtic Name: sodium 2-[[2-[(Z)-4-oxidanylidenepent-2-en-2-yl]phenyl]amino]ethanoic acid Openeye Name: sodium 2-[2-[(Z)-1-methyl-3-oxo-but-1-enyl]anilino]acetic acid CAS Name: sodium 2-[2-[(Z)-4-oxopent-2-en-2-yl]anilino]acetic acid IUPAC Name: sodium 2-[2-[(Z)-4-oxopent-2-en-2-yl]anilino]acetic acid Traditional Name: sodium 2-[2-[(Z)-3-keto-1-methyl-but-1-enyl]anilino]acetic acid Formula: C13H15NNaO3+ MolecularWeight: 256.25287

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)C1=CC=CC=C1NCC(=O)O.[Na+]

Isomeric SMILES

C/C(=C/C(=O)C)/C1=CC=CC=C1NCC(=O)O.[Na+]

InChI

InChI=1S/C13H15NO3.Na/c1-9(7-10(2)15)11-5-3-4-6-12(11)14-8-13(16)17;/h3-7,14H,8H2,1-2H3,(H,16,17);/q;+1/b9-7-;