2,2,4-trimethyl-7-(phenylcarbonyl)-4H-1,2-benzoxazin-2-ium-3-one

Systemtic Name: 2,2,4-trimethyl-7-(phenylcarbonyl)-4H-1,2-benzoxazin-2-ium-3-one Openeye Name: 7-benzoyl-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one CAS Name: 7-benzoyl-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one IUPAC Name: 7-benzoyl-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one Traditional Name: 7-benzoyl-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one Formula: C18H18NO3+ MolecularWeight: 296.34042

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)O[N+](C1=O)(C)C

Isomeric SMILES

CC1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)O[N+](C1=O)(C)C

InChI

InChI=1S/C18H18NO3/c1-12-15-10-9-14(17(20)13-7-5-4-6-8-13)11-16(15)22-19(2,3)18(12)21/h4-12H,1-3H3/q+1