ethyl (3E)-8-methyl-3-(phenylmethylidene)-2,4-dihydro-1,3-benzoxazin-3-ium-6-carboxylate

Systemtic Name: ethyl (3E)-8-methyl-3-(phenylmethylidene)-2,4-dihydro-1,3-benzoxazin-3-ium-6-carboxylate Openeye Name: ethyl (3E)-3-benzylidene-8-methyl-2,4-dihydro-1,3-benzoxazin-3-ium-6-carboxylate CAS Name: (3E)-8-methyl-3-(phenylmethylene)-2,4-dihydro-1,3-benzoxazin-3-ium-6-carboxylic acid ethyl ester IUPAC Name: ethyl (3E)-3-benzylidene-8-methyl-2,4-dihydro-1,3-benzoxazin-3-ium-6-carboxylate Traditional Name: (3E)-3-benzal-8-methyl-2,4-dihydro-1,3-benzoxazin-3-ium-6-carboxylic acid ethyl ester Formula: C19H20NO3+ MolecularWeight: 310.367

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1)C)OC[N+](=CC3=CC=CC=C3)C2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)C)OC/[N+](=C/C3=CC=CC=C3)/C2

InChI

InChI=1S/C19H20NO3/c1-3-22-19(21)16-9-14(2)18-17(10-16)12-20(13-23-18)11-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3/q+1/b20-11+