2,4-bis(oxidanyl)-3-[3-(2-oxidanylidene-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]oxazin-1-yl)propanoylamino]benzoic acid

Systemtic Name: 2,4-bis(oxidanyl)-3-[3-(2-oxidanylidene-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]oxazin-1-yl)propanoylamino]benzoic acid Openeye Name: 2,4-dihydroxy-3-[3-(2-oxo-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]oxazin-1-yl)propanoylamino]benzoic acid CAS Name: 2,4-dihydroxy-3-[[1-oxo-3-(2-oxo-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]oxazin-1-yl)propyl]amino]benzoic acid IUPAC Name: 2,4-dihydroxy-3-[3-(2-oxo-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]oxazin-1-yl)propanoylamino]benzoic acid Traditional Name: 2,4-dihydroxy-3-[3-(2-keto-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]oxazin-1-yl)propanoylamino]benzoic acid Formula: C18H22N2O7 MolecularWeight: 378.37648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)COC(=O)N2CCC(=O)NC3=C(C=CC(=C3O)C(=O)O)O

Isomeric SMILES

C1CCC2C(C1)COC(=O)N2CCC(=O)NC3=C(C=CC(=C3O)C(=O)O)O

InChI

InChI=1S/C18H22N2O7/c21-13-6-5-11(17(24)25)16(23)15(13)19-14(22)7-8-20-12-4-2-1-3-10(12)9-27-18(20)26/h5-6,10,12,21,23H,1-4,7-9H2,(H,19,22)(H,24,25)