(phenylmethyl) 2-[(2S,3R)-3-chloranyl-3-nitro-4-oxidanylidene-8-prop-2-enyl-2H-chromen-2-yl]benzoate

Systemtic Name: (phenylmethyl) 2-[(2S,3R)-3-chloranyl-3-nitro-4-oxidanylidene-8-prop-2-enyl-2H-chromen-2-yl]benzoate Openeye Name: benzyl 2-[(2S,3R)-8-allyl-3-chloro-3-nitro-4-oxo-chroman-2-yl]benzoate CAS Name: 2-[(2S,3R)-3-chloro-3-nitro-4-oxo-8-prop-2-enyl-3,4-dihydro-2H-1-benzopyran-2-yl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2S,3R)-3-chloro-3-nitro-4-oxo-8-prop-2-enyl-2H-chromen-2-yl]benzoate Traditional Name: 2-[(2S,3R)-8-allyl-3-chloro-4-keto-3-nitro-chroman-2-yl]benzoic acid benzyl ester Formula: C26H20ClNO6 MolecularWeight: 477.8931

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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=C3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C=CCC1=CC=CC2=C1O[C@H]([C@@](C2=O)([N+](=O)[O-])Cl)C3=CC=CC=C3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H20ClNO6/c1-2-9-18-12-8-15-21-22(18)34-24(26(27,23(21)29)28(31)32)19-13-6-7-14-20(19)25(30)33-16-17-10-4-3-5-11-17/h2-8,10-15,24H,1,9,16H2/t24-,26+/m0/s1