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

Systemtic Name: 2-[(2S)-4-[2-(butylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-4-[2-(butylamino)-2-oxo-ethyl]-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-4-[2-(butylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-4-[2-(butylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-4-[2-(butylamino)-2-keto-ethyl]-3-keto-1,4-benzoxazin-2-yl]acetate Formula: C16H19N2O5- MolecularWeight: 319.33246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1C2=CC=CC=C2OC(C1=O)CC(=O)[O-]

Isomeric SMILES

CCCCNC(=O)CN1C2=CC=CC=C2O[C@H](C1=O)CC(=O)[O-]

InChI

InChI=1S/C16H20N2O5/c1-2-3-8-17-14(19)10-18-11-6-4-5-7-12(11)23-13(16(18)22)9-15(20)21/h4-7,13H,2-3,8-10H2,1H3,(H,17,19)(H,20,21)/p-1/t13-/m0/s1