4-[(2S)-1-oxidanidyl-1-oxidanylidene-butan-2-yl]-3-oxidanylidene-1,4-benzoxazine-7-carboxylate

Systemtic Name: 4-[(2S)-1-oxidanidyl-1-oxidanylidene-butan-2-yl]-3-oxidanylidene-1,4-benzoxazine-7-carboxylate Openeye Name: 4-[(1S)-1-carboxylatopropyl]-3-oxo-1,4-benzoxazine-7-carboxylate CAS Name: 4-[(2S)-1-oxido-1-oxobutan-2-yl]-3-oxo-1,4-benzoxazine-7-carboxylate IUPAC Name: 4-[(2S)-1-oxido-1-oxobutan-2-yl]-3-oxo-1,4-benzoxazine-7-carboxylate Traditional Name: 4-[(1S)-1-carboxylatopropyl]-3-keto-1,4-benzoxazine-7-carboxylate Formula: C13H11NO6-2 MolecularWeight: 277.22954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO6/c1-2-8(13(18)19)14-9-4-3-7(12(16)17)5-10(9)20-6-11(14)15/h3-5,8H,2,6H2,1H3,(H,16,17)(H,18,19)/p-2/t8-/m0/s1