2-(phenylmethyl)-4,1,2-benzoxadiazin-2-ium-3-one

Systemtic Name: 2-(phenylmethyl)-4,1,2-benzoxadiazin-2-ium-3-one Openeye Name: 2-benzyl-4,1,2-benzoxadiazin-2-ium-3-one CAS Name: 2-(phenylmethyl)-4,1,2-benzoxadiazin-2-ium-3-one IUPAC Name: 2-benzyl-4,1,2-benzoxadiazin-2-ium-3-one Traditional Name: 2-benzyl-4,1,2-benzoxadiazin-2-ium-3-one Formula: C14H11N2O2+ MolecularWeight: 239.24934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=NC3=CC=CC=C3OC2=O

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=NC3=CC=CC=C3OC2=O

InChI

InChI=1S/C14H11N2O2/c17-14-16(10-11-6-2-1-3-7-11)15-12-8-4-5-9-13(12)18-14/h1-9H,10H2/q+1