N'-[4-[(4-chloranyl-3-methyl-phenoxy)methyl]phenyl]carbonyl-1-oxidanidyl-pyridin-1-ium-3-carbohydrazide

Systemtic Name: N'-[4-[(4-chloranyl-3-methyl-phenoxy)methyl]phenyl]carbonyl-1-oxidanidyl-pyridin-1-ium-3-carbohydrazide Openeye Name: N'-[4-[(4-chloro-3-methyl-phenoxy)methyl]benzoyl]-1-oxido-pyridin-1-ium-3-carbohydrazide CAS Name: N'-[[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-oxomethyl]-1-oxido-3-pyridin-1-iumcarbohydrazide IUPAC Name: N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-1-oxidopyridin-1-ium-3-carbohydrazide Traditional Name: N'-[4-[(4-chloro-3-methyl-phenoxy)methyl]benzoyl]-1-oxido-pyridin-1-ium-3-carbohydrazide Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=C(C=C2)C(=O)NNC(=O)C3=C[N+](=CC=C3)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=C(C=C2)C(=O)NNC(=O)C3=C[N+](=CC=C3)[O-])Cl

InChI

InChI=1S/C21H18ClN3O4/c1-14-11-18(8-9-19(14)22)29-13-15-4-6-16(7-5-15)20(26)23-24-21(27)17-3-2-10-25(28)12-17/h2-12H,13H2,1H3,(H,23,26)(H,24,27)