1-cyano-2-[(2R,3S,4R)-2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-[4-(trifluoromethyl)phenyl]guanidine

Systemtic Name: 1-cyano-2-[(2R,3S,4R)-2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-[4-(trifluoromethyl)phenyl]guanidine Openeye Name: 1-cyano-2-[(2R,3S,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-3-[4-(trifluoromethyl)phenyl]guanidine CAS Name: 1-cyano-2-[(2R,3S,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-3-[4-(trifluoromethyl)phenyl]guanidine IUPAC Name: 1-cyano-2-[(2R,3S,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]-3-[4-(trifluoromethyl)phenyl]guanidine Traditional Name: 1-cyano-2-[(2R,3S,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-3-[4-(trifluoromethyl)phenyl]guanidine Formula: C22H22F3N5O6 MolecularWeight: 509.43519

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N=C(NC#N)NC3=CC=C(C=C3)C(F)(F)F)O)C(OC)OC

Isomeric SMILES

C[C@@]1([C@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N=C(NC#N)NC3=CC=C(C=C3)C(F)(F)F)O)C(OC)OC

InChI

InChI=1S/C22H22F3N5O6/c1-21(19(34-2)35-3)18(31)17(15-10-14(30(32)33)8-9-16(15)36-21)29-20(27-11-26)28-13-6-4-12(5-7-13)22(23,24)25/h4-10,17-19,31H,1-3H3,(H2,27,28,29)/t17-,18+,21-/m1/s1