methyl N-[5-chloranyl-2-oxidanyl-4-(2-pyridin-1-ium-1-ylethanoylamino)phenyl]carbamate

Systemtic Name: methyl N-[5-chloranyl-2-oxidanyl-4-(2-pyridin-1-ium-1-ylethanoylamino)phenyl]carbamate Openeye Name: methyl N-[5-chloro-2-hydroxy-4-[(2-pyridin-1-ium-1-ylacetyl)amino]phenyl]carbamate CAS Name: N-[5-chloro-2-hydroxy-4-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]amino]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[5-chloro-2-hydroxy-4-[(2-pyridin-1-ium-1-ylacetyl)amino]phenyl]carbamate Traditional Name: N-[5-chloro-2-hydroxy-4-[(2-pyridin-1-ium-1-ylacetyl)amino]phenyl]carbamic acid methyl ester Formula: C15H15ClN3O4+ MolecularWeight: 336.7503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=C(C(=C1)Cl)NC(=O)C[N+]2=CC=CC=C2)O

Isomeric SMILES

COC(=O)NC1=C(C=C(C(=C1)Cl)NC(=O)C[N+]2=CC=CC=C2)O

InChI

InChI=1S/C15H14ClN3O4/c1-23-15(22)18-12-7-10(16)11(8-13(12)20)17-14(21)9-19-5-3-2-4-6-19/h2-8H,9H2,1H3,(H2-,17,18,20,21,22)/p+1