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

Systemtic Name: 1-cyano-1-[2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-2-(4-methylphenyl)guanidine Openeye Name: 1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-2-(p-tolyl)guanidine CAS Name: 1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(4-methylphenyl)guanidine IUPAC Name: 1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]-2-(4-methylphenyl)guanidine Traditional Name: 1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-2-(p-tolyl)guanidine Formula: C22H25N5O6 MolecularWeight: 455.4638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C(N)N(C#N)C2C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C(OC)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)N=C(N)N(C#N)C2C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C(OC)OC)O

InChI

InChI=1S/C22H25N5O6/c1-13-5-7-14(8-6-13)25-21(24)26(12-23)18-16-11-15(27(29)30)9-10-17(16)33-22(2,19(18)28)20(31-3)32-4/h5-11,18-20,28H,1-4H3,(H2,24,25)