2-butyl-3-oxidanidyl-phthalazin-3-ium-1-one

Systemtic Name: 2-butyl-3-oxidanidyl-phthalazin-3-ium-1-one Openeye Name: 2-butyl-3-oxido-phthalazin-3-ium-1-one CAS Name: 2-butyl-3-oxido-1-phthalazin-3-iumone IUPAC Name: 2-butyl-3-oxidophthalazin-3-ium-1-one Traditional Name: 2-butyl-3-oxido-phthalazin-3-ium-1-one Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C=[N+]1[O-]

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C=[N+]1[O-]

InChI

InChI=1S/C12H14N2O2/c1-2-3-8-13-12(15)11-7-5-4-6-10(11)9-14(13)16/h4-7,9H,2-3,8H2,1H3