N-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitro-hex-3-enyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitro-hex-3-enyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitro-hex-3-enyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitrohex-3-enyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitrohex-3-enyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[(E,2Z)-4-ethyl-2-hydroximino-5-nitro-hex-3-enyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C14H18N4O5 MolecularWeight: 322.31652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC(=NO)CNC(=O)C1=C[N+](=CC=C1)[O-])C(C)[N+](=O)[O-]

Isomeric SMILES

CC/C(=C\C(=N\O)\CNC(=O)C1=C[N+](=CC=C1)[O-])/C(C)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O5/c1-3-11(10(2)18(22)23)7-13(16-20)8-15-14(19)12-5-4-6-17(21)9-12/h4-7,9-10,20H,3,8H2,1-2H3,(H,15,19)/b11-7+,16-13-