N'-[4-(4-chloranyl-2-methyl-phenoxy)butanoyl]-1-oxidanidyl-pyridin-1-ium-3-carbohydrazide

Systemtic Name: N'-[4-(4-chloranyl-2-methyl-phenoxy)butanoyl]-1-oxidanidyl-pyridin-1-ium-3-carbohydrazide Openeye Name: N'-[4-(4-chloro-2-methyl-phenoxy)butanoyl]-1-oxido-pyridin-1-ium-3-carbohydrazide CAS Name: N'-[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]-1-oxido-3-pyridin-1-iumcarbohydrazide IUPAC Name: N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-1-oxidopyridin-1-ium-3-carbohydrazide Traditional Name: N'-[4-(4-chloro-2-methyl-phenoxy)butanoyl]-1-oxido-pyridin-1-ium-3-carbohydrazide Formula: C17H18ClN3O4 MolecularWeight: 363.79552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O4/c1-12-10-14(18)6-7-15(12)25-9-3-5-16(22)19-20-17(23)13-4-2-8-21(24)11-13/h2,4,6-8,10-11H,3,5,9H2,1H3,(H,19,22)(H,20,23)