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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O5/c1-2-3-6-18-14(20)9-19-11-7-10(17)4-5-12(11)24-13(16(19)23)8-15(21)22/h4-5,7,13H,2-3,6,8-9H2,1H3,(H,18,20)(H,21,22)/p-1/t13-/m0/s1