2-[(2S)-6-chloranyl-4-[2-(diethylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[(2S)-6-chloranyl-4-[2-(diethylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-6-chloro-4-[2-(diethylamino)-2-oxo-ethyl]-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-6-chloro-4-[2-(diethylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-6-chloro-4-[2-(diethylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-6-chloro-4-[2-(diethylamino)-2-keto-ethyl]-3-keto-1,4-benzoxazin-2-yl]acetate Formula: C16H18ClN2O5- MolecularWeight: 353.77752

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1C2=C(C=CC(=C2)Cl)OC(C1=O)CC(=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)CN1C2=C(C=CC(=C2)Cl)O[C@H](C1=O)CC(=O)[O-]

InChI

InChI=1S/C16H19ClN2O5/c1-3-18(4-2)14(20)9-19-11-7-10(17)5-6-12(11)24-13(16(19)23)8-15(21)22/h5-7,13H,3-4,8-9H2,1-2H3,(H,21,22)/p-1/t13-/m0/s1