4-[4-[(2S)-1-oxidanidyl-1-oxidanylidene-butan-2-yl]-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-[(2S)-1-oxidanidyl-1-oxidanylidene-butan-2-yl]-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-[(1S)-1-carboxylatopropyl]-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[4-[(2S)-1-oxido-1-oxobutan-2-yl]-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[4-[(2S)-1-oxido-1-oxobutan-2-yl]-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[4-[(1S)-1-carboxylatopropyl]-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C16H15NO7-2 MolecularWeight: 333.2928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C(=O)COC2=C1C=C(C=C2)C(=O)CCC(=O)[O-]

Isomeric SMILES

CC[C@@H](C(=O)[O-])N1C(=O)COC2=C1C=C(C=C2)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H17NO7/c1-2-10(16(22)23)17-11-7-9(12(18)4-6-15(20)21)3-5-13(11)24-8-14(17)19/h3,5,7,10H,2,4,6,8H2,1H3,(H,20,21)(H,22,23)/p-2/t10-/m0/s1