2-[(3Z)-3-[(2-methylpropan-2-yl)oxycarbonylimino]-2-oxidanylidene-pyridin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[(3Z)-3-[(2-methylpropan-2-yl)oxycarbonylimino]-2-oxidanylidene-pyridin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[(3Z)-3-tert-butoxycarbonylimino-2-oxo-pyridin-1-ium-1-yl]acetic acid CAS Name: 2-[(3Z)-3-[(2-methylpropan-2-yl)oxy-oxomethyl]imino-2-oxo-1-pyridin-1-iumyl]acetic acid IUPAC Name: 2-[(3Z)-3-[(2-methylpropan-2-yl)oxycarbonylimino]-2-oxopyridin-1-ium-1-yl]acetic acid Traditional Name: 2-[(3Z)-3-tert-butoxycarbonylimino-2-keto-pyridin-1-ium-1-yl]acetic acid Formula: C12H15N2O5+ MolecularWeight: 267.2579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N=C1C=CC=[N+](C1=O)CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)/N=C\1/C=CC=[N+](C1=O)CC(=O)O

InChI

InChI=1S/C12H14N2O5/c1-12(2,3)19-11(18)13-8-5-4-6-14(10(8)17)7-9(15)16/h4-6H,7H2,1-3H3/p+1/b13-8-