6-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(3-acetylpyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(3-acetyl-1-pyridin-1-iumyl)-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(3-acetylpyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(3-acetylpyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one Formula: C17H15N2O4+ MolecularWeight: 311.312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C17H14N2O4/c1-11(20)13-3-2-6-19(8-13)9-15(21)12-4-5-16-14(7-12)18-17(22)10-23-16/h2-8H,9-10H2,1H3/p+1