(2-cyanophenyl)methyl (2S)-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: (2-cyanophenyl)methyl (2S)-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: (2-cyanophenyl)methyl (2S)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (2S)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid (2-cyanobenzyl) ester Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3C#N

Isomeric SMILES

CC(=O)N1C[C@H](OC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C19H16N2O4/c1-13(22)21-11-18(25-17-9-5-4-8-16(17)21)19(23)24-12-15-7-3-2-6-14(15)10-20/h2-9,18H,11-12H2,1H3/t18-/m0/s1