6-chloranyl-N-(4-methoxy-2-nitro-phenyl)-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 6-chloranyl-N-(4-methoxy-2-nitro-phenyl)-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: 6-chloro-N-(4-methoxy-2-nitro-phenyl)-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 6-chloro-N-(4-methoxy-2-nitrophenyl)-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: 6-chloro-N-(4-methoxy-2-nitrophenyl)-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 6-chloro-N-(4-methoxy-2-nitro-phenyl)-1-oxido-pyridin-1-ium-3-carboxamide Formula: C13H10ClN3O5 MolecularWeight: 323.6886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2=C[N+](=C(C=C2)Cl)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2=C[N+](=C(C=C2)Cl)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10ClN3O5/c1-22-9-3-4-10(11(6-9)17(20)21)15-13(18)8-2-5-12(14)16(19)7-8/h2-7H,1H3,(H,15,18)