2-[[(E)-1-(5-chloranyl-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-en-2-yl]azaniumyl]ethanoate

Systemtic Name: 2-[[(E)-1-(5-chloranyl-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-en-2-yl]azaniumyl]ethanoate Openeye Name: 2-[[(E)-2-(5-chloro-2-hydroxy-phenyl)-1-formyl-vinyl]ammonio]acetate CAS Name: 2-[[(E)-1-(5-chloro-2-hydroxyphenyl)-3-oxoprop-1-en-2-yl]ammonio]acetate IUPAC Name: 2-[[(E)-1-(5-chloro-2-hydroxyphenyl)-3-oxoprop-1-en-2-yl]azaniumyl]acetate Traditional Name: 2-[[(E)-2-(5-chloro-2-hydroxy-phenyl)-1-formyl-vinyl]ammonio]acetate Formula: C11H10ClNO4 MolecularWeight: 255.6544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C=C(C=O)[NH2+]CC(=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1Cl)/C=C(\C=O)/[NH2+]CC(=O)[O-])O

InChI

InChI=1S/C11H10ClNO4/c12-8-1-2-10(15)7(3-8)4-9(6-14)13-5-11(16)17/h1-4,6,13,15H,5H2,(H,16,17)/b9-4+