2,2,4-trimethyl-7-[(E)-3-phenylprop-2-enoyl]-4H-1,2-benzoxazin-2-ium-3-one

Systemtic Name: 2,2,4-trimethyl-7-[(E)-3-phenylprop-2-enoyl]-4H-1,2-benzoxazin-2-ium-3-one Openeye Name: 2,2,4-trimethyl-7-[(E)-3-phenylprop-2-enoyl]-4H-1,2-benzoxazin-2-ium-3-one CAS Name: 2,2,4-trimethyl-7-[(E)-1-oxo-3-phenylprop-2-enyl]-4H-1,2-benzoxazin-2-ium-3-one IUPAC Name: 2,2,4-trimethyl-7-[(E)-3-phenylprop-2-enoyl]-4H-1,2-benzoxazin-2-ium-3-one Traditional Name: 2,2,4-trimethyl-7-[(E)-3-phenylacryloyl]-4H-1,2-benzoxazin-2-ium-3-one Formula: C20H20NO3+ MolecularWeight: 322.3777

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=C(C=C2)C(=O)C=CC3=CC=CC=C3)O[N+](C1=O)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20NO3/c1-14-17-11-10-16(13-19(17)24-21(2,3)20(14)23)18(22)12-9-15-7-5-4-6-8-15/h4-14H,1-3H3/q+1/b12-9+