ethyl 5-chloranyl-1-oxidanidyl-3-(2-phenylethanoylamino)pyridin-1-ium-2-carboxylate

Systemtic Name: ethyl 5-chloranyl-1-oxidanidyl-3-(2-phenylethanoylamino)pyridin-1-ium-2-carboxylate Openeye Name: ethyl 5-chloro-1-oxido-3-[(2-phenylacetyl)amino]pyridin-1-ium-2-carboxylate CAS Name: 5-chloro-1-oxido-3-[(1-oxo-2-phenylethyl)amino]-2-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-1-oxido-3-[(2-phenylacetyl)amino]pyridin-1-ium-2-carboxylate Traditional Name: 5-chloro-1-oxido-3-[(2-phenylacetyl)amino]pyridin-1-ium-2-carboxylic acid ethyl ester Formula: C16H15ClN2O4 MolecularWeight: 334.7543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C=C(C=C1NC(=O)CC2=CC=CC=C2)Cl)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](C=C(C=C1NC(=O)CC2=CC=CC=C2)Cl)[O-]

InChI

InChI=1S/C16H15ClN2O4/c1-2-23-16(21)15-13(9-12(17)10-19(15)22)18-14(20)8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,18,20)