(5-butyl-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-(4-nitrophenyl)methanone

Systemtic Name: (5-butyl-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-(4-nitrophenyl)methanone Openeye Name: (5-butyl-2-oxido-4,5-dihydroisoxazol-2-ium-3-yl)-(4-nitrophenyl)methanone CAS Name: (5-butyl-2-oxido-4,5-dihydroisoxazol-2-ium-3-yl)-(4-nitrophenyl)methanone IUPAC Name: (5-butyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-(4-nitrophenyl)methanone Traditional Name: (5-butyl-2-oxido-2-isoxazolin-2-ium-3-yl)-(4-nitrophenyl)methanone Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(=[N+](O1)[O-])C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1CC(=[N+](O1)[O-])C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O5/c1-2-3-4-12-9-13(16(20)21-12)14(17)10-5-7-11(8-6-10)15(18)19/h5-8,12H,2-4,9H2,1H3