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

Systemtic Name: methyl N-[2-chloranyl-4-[oxidanyl(2-pyridin-1-ium-1-ylethanoyl)amino]phenyl]carbamate Openeye Name: methyl N-[2-chloro-4-[hydroxy-(2-pyridin-1-ium-1-ylacetyl)amino]phenyl]carbamate CAS Name: N-[2-chloro-4-[hydroxy-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]amino]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-chloro-4-[hydroxy-(2-pyridin-1-ium-1-ylacetyl)amino]phenyl]carbamate Traditional Name: N-[2-chloro-4-[hydroxy-(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)N(C(=O)C[N+]2=CC=CC=C2)O)Cl

Isomeric SMILES

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

InChI

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