(2E,5E)-N-butyl-6-methyl-7-oxidanyl-7-oxidanylidene-4-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)hepta-2,5-dienenitrilium

Systemtic Name: (2E,5E)-N-butyl-6-methyl-7-oxidanyl-7-oxidanylidene-4-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)hepta-2,5-dienenitrilium Openeye Name: (2E,5E)-N-butyl-4-(1-carboxyvinyl)-7-hydroxy-6-methyl-7-oxo-hepta-2,5-dienenitrilium CAS Name: (2E,5E)-N-butyl-7-hydroxy-4-(3-hydroxy-3-oxoprop-1-en-2-yl)-6-methyl-7-oxohepta-2,5-dienenitrilium IUPAC Name: (2E,5E)-N-butyl-7-hydroxy-4-(3-hydroxy-3-oxoprop-1-en-2-yl)-6-methyl-7-oxohepta-2,5-dienenitrilium Traditional Name: (2E,5E)-N-butyl-4-(1-carboxyvinyl)-7-hydroxy-7-keto-6-methyl-hepta-2,5-dienenitrilium Formula: C15H20NO4+ MolecularWeight: 278.3236

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]#CC=CC(C=C(C)C(=O)O)C(=C)C(=O)O

Isomeric SMILES

CCCC[N+]#C/C=C/C(/C=C(\C)/C(=O)O)C(=C)C(=O)O

InChI

InChI=1S/C15H19NO4/c1-4-5-8-16-9-6-7-13(12(3)15(19)20)10-11(2)14(17)18/h6-7,10,13H,3-5,8H2,1-2H3,(H-,17,18,19,20)/p+1/b7-6+,11-10+