3-ethanoyl-4-methyl-4-(phenylmethyl)-1,4-benzoxazin-4-ium-2-olate

Systemtic Name: 3-ethanoyl-4-methyl-4-(phenylmethyl)-1,4-benzoxazin-4-ium-2-olate Openeye Name: 3-acetyl-4-benzyl-4-methyl-1,4-benzoxazin-4-ium-2-olate CAS Name: 3-acetyl-4-methyl-4-(phenylmethyl)-1,4-benzoxazin-4-ium-2-olate IUPAC Name: 3-acetyl-4-benzyl-4-methyl-1,4-benzoxazin-4-ium-2-olate Traditional Name: 3-acetyl-4-benzyl-4-methyl-1,4-benzoxazin-4-ium-2-olate Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(OC2=CC=CC=C2[N+]1(C)CC3=CC=CC=C3)[O-]

Isomeric SMILES

CC(=O)C1=C(OC2=CC=CC=C2[N+]1(C)CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H17NO3/c1-13(20)17-18(21)22-16-11-7-6-10-15(16)19(17,2)12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3