ethyl 2-[$l^{1}-oxidanyl-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]amino]-2-methyl-propanoate

Systemtic Name: ethyl 2-[$l^{1}-oxidanyl-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]amino]-2-methyl-propanoate Openeye Name: ethyl 2-[$l^{1}-oxidanyl-[(1-oxidopyridin-1-ium-4-yl)methyl]amino]-2-methyl-propanoate CAS Name: 2-[$l^{1}-oxidanyl-[(1-oxido-4-pyridin-1-iumyl)methyl]amino]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[$l^{1}-oxidanyl-[(1-oxidopyridin-1-ium-4-yl)methyl]amino]-2-methylpropanoate Traditional Name: 2-[$l^{1}-oxidanyl-[(1-oxidopyridin-1-ium-4-yl)methyl]amino]-2-methyl-propionic acid ethyl ester Formula: C12H17N2O4 MolecularWeight: 253.27438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)N(CC1=CC=[N+](C=C1)[O-])[O]

Isomeric SMILES

CCOC(=O)C(C)(C)N(CC1=CC=[N+](C=C1)[O-])[O]

InChI

InChI=1S/C12H17N2O4/c1-4-18-11(15)12(2,3)14(17)9-10-5-7-13(16)8-6-10/h5-8H,4,9H2,1-3H3