2-[(2R)-6-chloranyl-3-oxidanylidene-4-(phenylmethyl)-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[(2R)-6-chloranyl-3-oxidanylidene-4-(phenylmethyl)-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2R)-4-benzyl-6-chloro-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2R)-6-chloro-3-oxo-4-(phenylmethyl)-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2R)-4-benzyl-6-chloro-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2R)-4-benzyl-6-chloro-3-keto-1,4-benzoxazin-2-yl]acetate Formula: C17H13ClNO4- MolecularWeight: 330.74242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)Cl)OC(C2=O)CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)Cl)O[C@@H](C2=O)CC(=O)[O-]

InChI

InChI=1S/C17H14ClNO4/c18-12-6-7-14-13(8-12)19(10-11-4-2-1-3-5-11)17(22)15(23-14)9-16(20)21/h1-8,15H,9-10H2,(H,20,21)/p-1/t15-/m1/s1