2-[(1-oxidanidylpyridin-1-ium-3-yl)carbonylamino]ethyl 2-(4-chloranylphenoxy)-2-methyl-propanoate

Systemtic Name: 2-[(1-oxidanidylpyridin-1-ium-3-yl)carbonylamino]ethyl 2-(4-chloranylphenoxy)-2-methyl-propanoate Openeye Name: 2-[(1-oxidopyridin-1-ium-3-carbonyl)amino]ethyl 2-(4-chlorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid 2-[[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(1-oxidopyridin-1-ium-3-carbonyl)amino]ethyl 2-(4-chlorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-chlorophenoxy)-2-methyl-propionic acid 2-[(1-oxidopyridin-1-ium-3-carbonyl)amino]ethyl ester Formula: C18H19ClN2O5 MolecularWeight: 378.80686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCCNC(=O)C1=C[N+](=CC=C1)[O-])OC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C(=O)OCCNC(=O)C1=C[N+](=CC=C1)[O-])OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H19ClN2O5/c1-18(2,26-15-7-5-14(19)6-8-15)17(23)25-11-9-20-16(22)13-4-3-10-21(24)12-13/h3-8,10,12H,9,11H2,1-2H3,(H,20,22)