2-(2-chlorophenyl)-1-cyano-1-[2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]guanidine

Systemtic Name: 2-(2-chlorophenyl)-1-cyano-1-[2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]guanidine Openeye Name: 2-(2-chlorophenyl)-1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]guanidine CAS Name: 2-(2-chlorophenyl)-1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]guanidine IUPAC Name: 2-(2-chlorophenyl)-1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]guanidine Traditional Name: 2-(2-chlorophenyl)-1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]guanidine Formula: C21H22ClN5O6 MolecularWeight: 475.88228

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N(C#N)C(=NC3=CC=CC=C3Cl)N)O)C(OC)OC

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N(C#N)C(=NC3=CC=CC=C3Cl)N)O)C(OC)OC

InChI

InChI=1S/C21H22ClN5O6/c1-21(19(31-2)32-3)18(28)17(13-10-12(27(29)30)8-9-16(13)33-21)26(11-23)20(24)25-15-7-5-4-6-14(15)22/h4-10,17-19,28H,1-3H3,(H2,24,25)