diethyl 2-acetamido-2-[(4-chloranyl-5-methoxy-1-oxidanidyl-pyridin-1-ium-2-yl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(4-chloranyl-5-methoxy-1-oxidanidyl-pyridin-1-ium-2-yl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(4-chloro-5-methoxy-1-oxido-pyridin-1-ium-2-yl)methyl]propanedioate CAS Name: 2-acetamido-2-[(4-chloro-5-methoxy-1-oxido-2-pyridin-1-iumyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(4-chloro-5-methoxy-1-oxidopyridin-1-ium-2-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[(4-chloro-5-methoxy-1-oxido-pyridin-1-ium-2-yl)methyl]malonic acid diethyl ester Formula: C16H21ClN2O7 MolecularWeight: 388.80014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=[N+](C=C(C(=C1)Cl)OC)[O-])(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=[N+](C=C(C(=C1)Cl)OC)[O-])(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C16H21ClN2O7/c1-5-25-14(21)16(18-10(3)20,15(22)26-6-2)8-11-7-12(17)13(24-4)9-19(11)23/h7,9H,5-6,8H2,1-4H3,(H,18,20)