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

Systemtic Name: 2-[(2S)-4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-3-oxo-4-(p-tolylmethyl)-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-4-(4-methylbenzyl)-1,4-benzoxazin-2-yl]acetate Formula: C18H16NO4- MolecularWeight: 310.32394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=CC=CC=C3OC(C2=O)CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=CC=CC=C3O[C@H](C2=O)CC(=O)[O-]

InChI

InChI=1S/C18H17NO4/c1-12-6-8-13(9-7-12)11-19-14-4-2-3-5-15(14)23-16(18(19)22)10-17(20)21/h2-9,16H,10-11H2,1H3,(H,20,21)/p-1/t16-/m0/s1