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

Systemtic Name: 2-[(4R)-2,2-dimethyl-6-nitro-4-oxidanyl-3H-chromen-4-yl]ethanoic acid Openeye Name: 2-[(4R)-4-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl]acetic acid CAS Name: 2-[(4R)-4-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]acetic acid IUPAC Name: 2-[(4R)-4-hydroxy-2,2-dimethyl-6-nitro-3H-chromen-4-yl]acetic acid Traditional Name: 2-[(4R)-4-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl]acetic acid Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(O1)C=CC(=C2)[N+](=O)[O-])(CC(=O)O)O)C

Isomeric SMILES

CC1(C[C@](C2=C(O1)C=CC(=C2)[N+](=O)[O-])(CC(=O)O)O)C

InChI

InChI=1S/C13H15NO6/c1-12(2)7-13(17,6-11(15)16)9-5-8(14(18)19)3-4-10(9)20-12/h3-5,17H,6-7H2,1-2H3,(H,15,16)/t13-/m0/s1