4-[[(2S)-3-oxidanylidene-2-phenyl-1,4-benzoxazin-4-yl]methyl]benzoate

Systemtic Name: 4-[[(2S)-3-oxidanylidene-2-phenyl-1,4-benzoxazin-4-yl]methyl]benzoate Openeye Name: 4-[[(2S)-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]methyl]benzoate CAS Name: 4-[[(2S)-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]methyl]benzoate IUPAC Name: 4-[[(2S)-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]methyl]benzoate Traditional Name: 4-[[(2S)-3-keto-2-phenyl-1,4-benzoxazin-4-yl]methyl]benzoate Formula: C22H16NO4- MolecularWeight: 358.36674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=O)N(C3=CC=CC=C3O2)CC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2C(=O)N(C3=CC=CC=C3O2)CC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C22H17NO4/c24-21-20(16-6-2-1-3-7-16)27-19-9-5-4-8-18(19)23(21)14-15-10-12-17(13-11-15)22(25)26/h1-13,20H,14H2,(H,25,26)/p-1/t20-/m0/s1