2-[(2R,4R)-6-chloranyl-2-methyl-5-nitro-4-oxidanyl-2,3-dihydrochromen-4-yl]ethanoic acid

Systemtic Name: 2-[(2R,4R)-6-chloranyl-2-methyl-5-nitro-4-oxidanyl-2,3-dihydrochromen-4-yl]ethanoic acid Openeye Name: 2-[(2R,4R)-6-chloro-4-hydroxy-2-methyl-5-nitro-chroman-4-yl]acetic acid CAS Name: 2-[(2R,4R)-6-chloro-4-hydroxy-2-methyl-5-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]acetic acid IUPAC Name: 2-[(2R,4R)-6-chloro-4-hydroxy-2-methyl-5-nitro-2,3-dihydrochromen-4-yl]acetic acid Traditional Name: 2-[(2R,4R)-6-chloro-4-hydroxy-2-methyl-5-nitro-chroman-4-yl]acetic acid Formula: C12H12ClNO6 MolecularWeight: 301.67978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO6/c1-6-4-12(17,5-9(15)16)10-8(20-6)3-2-7(13)11(10)14(18)19/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1