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

Systemtic Name: (2S,3R)-3-chloranyl-3-nitro-2-(4-nitrophenyl)-8-prop-2-enyl-2H-chromen-4-one Openeye Name: (2S,3R)-8-allyl-3-chloro-3-nitro-2-(4-nitrophenyl)chroman-4-one CAS Name: (2S,3R)-3-chloro-3-nitro-2-(4-nitrophenyl)-8-prop-2-enyl-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (2S,3R)-3-chloro-3-nitro-2-(4-nitrophenyl)-8-prop-2-enyl-2H-chromen-4-one Traditional Name: (2S,3R)-8-allyl-3-chloro-3-nitro-2-(4-nitrophenyl)chroman-4-one Formula: C18H13ClN2O6 MolecularWeight: 388.75862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN2O6/c1-2-4-11-5-3-6-14-15(11)27-17(18(19,16(14)22)21(25)26)12-7-9-13(10-8-12)20(23)24/h2-3,5-10,17H,1,4H2/t17-,18+/m0/s1