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

Systemtic Name: 2-[(2S)-6-chloranyl-4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-6-chloro-4-[2-(isobutylamino)-2-oxo-ethyl]-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-6-chloro-4-[2-(2-methylpropylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-6-chloro-4-[2-(2-methylpropylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-6-chloro-4-[2-(isobutylamino)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O5/c1-9(2)7-18-14(20)8-19-11-5-10(17)3-4-12(11)24-13(16(19)23)6-15(21)22/h3-5,9,13H,6-8H2,1-2H3,(H,18,20)(H,21,22)/p-1/t13-/m0/s1