(2R,3R,4R)-3-chloranyl-2-(4-methoxy-3-nitro-phenyl)-3-nitro-2,4-dihydrochromen-4-ol

Systemtic Name: (2R,3R,4R)-3-chloranyl-2-(4-methoxy-3-nitro-phenyl)-3-nitro-2,4-dihydrochromen-4-ol Openeye Name: (2R,3R,4R)-3-chloro-2-(4-methoxy-3-nitro-phenyl)-3-nitro-chroman-4-ol CAS Name: (2R,3R,4R)-3-chloro-2-(4-methoxy-3-nitrophenyl)-3-nitro-3,4-dihydro-2H-1-benzopyran-4-ol IUPAC Name: (2R,3R,4R)-3-chloro-2-(4-methoxy-3-nitrophenyl)-3-nitro-2,4-dihydrochromen-4-ol Traditional Name: (2R,3R,4R)-3-chloro-2-(4-methoxy-3-nitro-phenyl)-3-nitro-chroman-4-ol Formula: C16H13ClN2O7 MolecularWeight: 380.73662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(C3=CC=CC=C3O2)O)([N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2[C@]([C@@H](C3=CC=CC=C3O2)O)([N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN2O7/c1-25-13-7-6-9(8-11(13)18(21)22)15-16(17,19(23)24)14(20)10-4-2-3-5-12(10)26-15/h2-8,14-15,20H,1H3/t14-,15-,16+/m1/s1