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

Systemtic Name: 1-cyano-1-[2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-2-[(3-nitrophenyl)methyl]guanidine Openeye Name: 1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-2-[(3-nitrophenyl)methyl]guanidine CAS Name: 1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-2-[(3-nitrophenyl)methyl]guanidine IUPAC Name: 1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]-2-[(3-nitrophenyl)methyl]guanidine Traditional Name: 1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-2-(3-nitrobenzyl)guanidine Formula: C22H24N6O8 MolecularWeight: 500.46136

Click to see the large picture

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)[O-])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)[O-])N)O)C(OC)OC

InChI

InChI=1S/C22H24N6O8/c1-22(20(34-2)35-3)19(29)18(16-10-15(28(32)33)7-8-17(16)36-22)26(12-23)21(24)25-11-13-5-4-6-14(9-13)27(30)31/h4-10,18-20,29H,11H2,1-3H3,(H2,24,25)