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

Systemtic Name: 1-cyano-3-[2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-5-yl]-2-[(4-methoxyphenyl)methyl]guanidine Openeye Name: 1-cyano-3-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-5-yl]-2-[(4-methoxyphenyl)methyl]guanidine CAS Name: 1-cyano-3-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-5-yl]-2-[(4-methoxyphenyl)methyl]guanidine IUPAC Name: 1-cyano-3-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-5-yl]-2-[(4-methoxyphenyl)methyl]guanidine Traditional Name: 1-cyano-3-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-5-yl]-2-p-anisyl-guanidine Formula: C23H27N5O7 MolecularWeight: 485.48978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC2=C(O1)C=CC(=C2NC(=NCC3=CC=C(C=C3)OC)NC#N)[N+](=O)[O-])O)C(OC)OC

Isomeric SMILES

CC1(C(CC2=C(O1)C=CC(=C2NC(=NCC3=CC=C(C=C3)OC)NC#N)[N+](=O)[O-])O)C(OC)OC

InChI

InChI=1S/C23H27N5O7/c1-23(21(33-3)34-4)19(29)11-16-18(35-23)10-9-17(28(30)31)20(16)27-22(26-13-24)25-12-14-5-7-15(32-2)8-6-14/h5-10,19,21,29H,11-12H2,1-4H3,(H2,25,26,27)