(2S,3R)-3-chloranyl-3-nitro-2-(2-phenylmethoxyphenyl)-8-prop-2-enyl-2H-chromen-4-one

Systemtic Name: (2S,3R)-3-chloranyl-3-nitro-2-(2-phenylmethoxyphenyl)-8-prop-2-enyl-2H-chromen-4-one Openeye Name: (2S,3R)-8-allyl-2-(2-benzyloxyphenyl)-3-chloro-3-nitro-chroman-4-one CAS Name: (2S,3R)-3-chloro-3-nitro-2-(2-phenylmethoxyphenyl)-8-prop-2-enyl-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (2S,3R)-3-chloro-3-nitro-2-(2-phenylmethoxyphenyl)-8-prop-2-enyl-2H-chromen-4-one Traditional Name: (2S,3R)-8-allyl-2-(2-benzoxyphenyl)-3-chloro-3-nitro-chroman-4-one Formula: C25H20ClNO5 MolecularWeight: 449.883

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC2=C1OC(C(C2=O)([N+](=O)[O-])Cl)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

C=CCC1=CC=CC2=C1O[C@H]([C@@](C2=O)([N+](=O)[O-])Cl)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C25H20ClNO5/c1-2-9-18-12-8-14-20-22(18)32-24(25(26,23(20)28)27(29)30)19-13-6-7-15-21(19)31-16-17-10-4-3-5-11-17/h2-8,10-15,24H,1,9,16H2/t24-,25+/m0/s1