2-[(2R,4R)-2,5-dimethyl-5-nitro-4-oxidanyl-3,6-dihydro-2H-chromen-4-yl]ethanoic acid

Systemtic Name: 2-[(2R,4R)-2,5-dimethyl-5-nitro-4-oxidanyl-3,6-dihydro-2H-chromen-4-yl]ethanoic acid Openeye Name: 2-[(2R,4R)-4-hydroxy-2,5-dimethyl-5-nitro-3,6-dihydro-2H-chromen-4-yl]acetic acid CAS Name: 2-[(2R,4R)-4-hydroxy-2,5-dimethyl-5-nitro-3,6-dihydro-2H-1-benzopyran-4-yl]acetic acid IUPAC Name: 2-[(2R,4R)-4-hydroxy-2,5-dimethyl-5-nitro-3,6-dihydro-2H-chromen-4-yl]acetic acid Traditional Name: 2-[(2R,4R)-4-hydroxy-2,5-dimethyl-5-nitro-3,6-dihydro-2H-chromen-4-yl]acetic acid Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=C(O1)C=CCC2(C)[N+](=O)[O-])(CC(=O)O)O

Isomeric SMILES

C[C@@H]1C[C@](C2=C(O1)C=CCC2(C)[N+](=O)[O-])(CC(=O)O)O

InChI

InChI=1S/C13H17NO6/c1-8-6-13(17,7-10(15)16)11-9(20-8)4-3-5-12(11,2)14(18)19/h3-4,8,17H,5-7H2,1-2H3,(H,15,16)/t8-,12?,13-/m1/s1