(2-cyanophenyl)methyl 2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: (2-cyanophenyl)methyl 2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoate Openeye Name: (2-cyanophenyl)methyl 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-4H-1,4-benzoxazin-2-yl]acetic acid (2-cyanobenzyl) ester Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)CC2C(=O)NC3=CC=CC=C3O2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C[C@H]2C(=O)NC3=CC=CC=C3O2)C#N

InChI

InChI=1S/C18H14N2O4/c19-10-12-5-1-2-6-13(12)11-23-17(21)9-16-18(22)20-14-7-3-4-8-15(14)24-16/h1-8,16H,9,11H2,(H,20,22)/t16-/m0/s1