1-(3-chlorophenyl)-3-cyano-2-[2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-5-yl]guanidine

Systemtic Name: 1-(3-chlorophenyl)-3-cyano-2-[2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-5-yl]guanidine Openeye Name: 1-(3-chlorophenyl)-3-cyano-2-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-5-yl]guanidine CAS Name: 1-(3-chlorophenyl)-3-cyano-2-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-5-yl]guanidine IUPAC Name: 1-(3-chlorophenyl)-3-cyano-2-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-5-yl]guanidine Traditional Name: 1-(3-chlorophenyl)-3-cyano-2-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-5-yl]guanidine Formula: C21H22ClN5O6 MolecularWeight: 475.88228

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC2=C(O1)C=CC(=C2N=C(NC#N)NC3=CC(=CC=C3)Cl)[N+](=O)[O-])O)C(OC)OC

Isomeric SMILES

CC1(C(CC2=C(O1)C=CC(=C2N=C(NC#N)NC3=CC(=CC=C3)Cl)[N+](=O)[O-])O)C(OC)OC

InChI

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