ethyl 2-(8-methyl-2-oxidanylidene-1,3-benzoxazin-3-ium-3-yl)-3-phenyl-propanoate

Systemtic Name: ethyl 2-(8-methyl-2-oxidanylidene-1,3-benzoxazin-3-ium-3-yl)-3-phenyl-propanoate Openeye Name: ethyl 2-(8-methyl-2-oxo-1,3-benzoxazin-3-ium-3-yl)-3-phenyl-propanoate CAS Name: 2-(8-methyl-2-oxo-1,3-benzoxazin-3-ium-3-yl)-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-(8-methyl-2-oxo-1,3-benzoxazin-3-ium-3-yl)-3-phenylpropanoate Traditional Name: 2-(2-keto-8-methyl-1,3-benzoxazin-3-ium-3-yl)-3-phenyl-propionic acid ethyl ester Formula: C20H20NO4+ MolecularWeight: 338.3771

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)[N+]2=CC3=C(C(=CC=C3)C)OC2=O

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)[N+]2=CC3=C(C(=CC=C3)C)OC2=O

InChI

InChI=1S/C20H20NO4/c1-3-24-19(22)17(12-15-9-5-4-6-10-15)21-13-16-11-7-8-14(2)18(16)25-20(21)23/h4-11,13,17H,3,12H2,1-2H3/q+1