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

Systemtic Name: 2-[(2S)-6-chloranyl-3-oxidanylidene-4-[2-oxidanylidene-2-(propylamino)ethyl]-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-6-chloro-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-6-chloro-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-6-chloro-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-6-chloro-3-keto-4-[2-keto-2-(propylamino)ethyl]-1,4-benzoxazin-2-yl]acetate Formula: C15H16ClN2O5- MolecularWeight: 339.75094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN2O5/c1-2-5-17-13(19)8-18-10-6-9(16)3-4-11(10)23-12(15(18)22)7-14(20)21/h3-4,6,12H,2,5,7-8H2,1H3,(H,17,19)(H,20,21)/p-1/t12-/m0/s1