4-[4-[(2R)-2,3-bis(oxidanyl)propyl]-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-[(2R)-2,3-bis(oxidanyl)propyl]-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-[(2R)-2,3-dihydroxypropyl]-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[4-[(2R)-2,3-dihydroxypropyl]-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[4-[(2R)-2,3-dihydroxypropyl]-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[4-[(2R)-2,3-dihydroxypropyl]-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C15H16NO7- MolecularWeight: 322.29004

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])CC(CO)O

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])C[C@H](CO)O

InChI

InChI=1S/C15H17NO7/c17-7-10(18)6-16-11-5-9(12(19)2-4-15(21)22)1-3-13(11)23-8-14(16)20/h1,3,5,10,17-18H,2,4,6-8H2,(H,21,22)/p-1/t10-/m1/s1