methyl 2-chloranyl-3-[3-oxidanylidene-2-(phenylmethyl)-4H-1,4-benzoxazin-6-yl]propanoate

Systemtic Name: methyl 2-chloranyl-3-[3-oxidanylidene-2-(phenylmethyl)-4H-1,4-benzoxazin-6-yl]propanoate Openeye Name: methyl 3-(2-benzyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-chloro-propanoate CAS Name: 2-chloro-3-[3-oxo-2-(phenylmethyl)-4H-1,4-benzoxazin-6-yl]propanoic acid methyl ester IUPAC Name: methyl 3-(2-benzyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-chloropropanoate Traditional Name: 3-(2-benzyl-3-keto-4H-1,4-benzoxazin-6-yl)-2-chloro-propionic acid methyl ester Formula: C19H18ClNO4 MolecularWeight: 359.80352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=C(C=C1)OC(C(=O)N2)CC3=CC=CC=C3)Cl

Isomeric SMILES

COC(=O)C(CC1=CC2=C(C=C1)OC(C(=O)N2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H18ClNO4/c1-24-19(23)14(20)9-13-7-8-16-15(10-13)21-18(22)17(25-16)11-12-5-3-2-4-6-12/h2-8,10,14,17H,9,11H2,1H3,(H,21,22)