potassium 3-(3,4-diacetyloxyphenyl)-2-[[(Z)-4-oxidanylidenepent-2-en-2-yl]amino]propanoic acid

Systemtic Name: potassium 3-(3,4-diacetyloxyphenyl)-2-[[(Z)-4-oxidanylidenepent-2-en-2-yl]amino]propanoic acid Openeye Name: potassium 3-(3,4-diacetoxyphenyl)-2-[[(Z)-1-methyl-3-oxo-but-1-enyl]amino]propanoic acid CAS Name: potassium 3-(3,4-diacetyloxyphenyl)-2-[[(Z)-4-oxopent-2-en-2-yl]amino]propanoic acid IUPAC Name: potassium 3-(3,4-diacetyloxyphenyl)-2-[[(Z)-4-oxopent-2-en-2-yl]amino]propanoic acid Traditional Name: potassium 3-(3,4-diacetoxyphenyl)-2-[[(Z)-3-keto-1-methyl-but-1-enyl]amino]propionic acid Formula: C18H21KNO7+ MolecularWeight: 402.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)NC(CC1=CC(=C(C=C1)OC(=O)C)OC(=O)C)C(=O)O.[K+]

Isomeric SMILES

C/C(=C/C(=O)C)/NC(CC1=CC(=C(C=C1)OC(=O)C)OC(=O)C)C(=O)O.[K+]

InChI

InChI=1S/C18H21NO7.K/c1-10(7-11(2)20)19-15(18(23)24)8-14-5-6-16(25-12(3)21)17(9-14)26-13(4)22;/h5-7,9,15,19H,8H2,1-4H3,(H,23,24);/q;+1/b10-7-;