6-ethanoyl-3-(phenylmethyl)-3,4-dihydro-2H-1,3-benzoxazin-3-ium-5-olate

Systemtic Name: 6-ethanoyl-3-(phenylmethyl)-3,4-dihydro-2H-1,3-benzoxazin-3-ium-5-olate Openeye Name: 6-acetyl-3-benzyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-5-olate CAS Name: 6-acetyl-3-(phenylmethyl)-3,4-dihydro-2H-1,3-benzoxazin-3-ium-5-olate IUPAC Name: 6-acetyl-3-benzyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-5-olate Traditional Name: 6-acetyl-3-benzyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-5-olate Formula: C17H17NO3 MolecularWeight: 283.32178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(C=C1)OC[NH+](C2)CC3=CC=CC=C3)[O-]

Isomeric SMILES

CC(=O)C1=C(C2=C(C=C1)OC[NH+](C2)CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C17H17NO3/c1-12(19)14-7-8-16-15(17(14)20)10-18(11-21-16)9-13-5-3-2-4-6-13/h2-8,20H,9-11H2,1H3