1-cyano-1-[2-(dimethoxymethyl)-2-methyl-8-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-2-(phenylmethyl)guanidine

Systemtic Name: 1-cyano-1-[2-(dimethoxymethyl)-2-methyl-8-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-2-(phenylmethyl)guanidine Openeye Name: 2-benzyl-1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-8-nitro-chroman-4-yl]guanidine CAS Name: 1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-8-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(phenylmethyl)guanidine IUPAC Name: 2-benzyl-1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-8-nitro-3,4-dihydrochromen-4-yl]guanidine Traditional Name: 2-benzyl-1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-8-nitro-chroman-4-yl]guanidine Formula: C22H25N5O6 MolecularWeight: 455.4638

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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(=NCC3=CC=CC=C3)N)O)C(OC)OC

Isomeric SMILES

CC1(C(C(C2=C(O1)C(=CC=C2)[N+](=O)[O-])N(C#N)C(=NCC3=CC=CC=C3)N)O)C(OC)OC

InChI

InChI=1S/C22H25N5O6/c1-22(20(31-2)32-3)19(28)17(15-10-7-11-16(27(29)30)18(15)33-22)26(13-23)21(24)25-12-14-8-5-4-6-9-14/h4-11,17,19-20,28H,12H2,1-3H3,(H2,24,25)