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

Systemtic Name: 2-(3-chlorophenyl)-1-cyano-1-[2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]guanidine Openeye Name: 2-(3-chlorophenyl)-1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]guanidine CAS Name: 2-(3-chlorophenyl)-1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]guanidine IUPAC Name: 2-(3-chlorophenyl)-1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]guanidine Traditional Name: 2-(3-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=C3)Cl)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=C3)Cl)N)O)C(OC)OC

InChI

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