1-cyano-2-[2,2-dimethyl-6-nitro-3,3,4-tris(oxidanyl)chromen-4-yl]-1-ethyl-guanidine

Systemtic Name: 1-cyano-2-[2,2-dimethyl-6-nitro-3,3,4-tris(oxidanyl)chromen-4-yl]-1-ethyl-guanidine Openeye Name: 1-cyano-1-ethyl-2-(3,3,4-trihydroxy-2,2-dimethyl-6-nitro-chroman-4-yl)guanidine CAS Name: 1-cyano-1-ethyl-2-(3,3,4-trihydroxy-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)guanidine IUPAC Name: 1-cyano-1-ethyl-2-(3,3,4-trihydroxy-2,2-dimethyl-6-nitrochromen-4-yl)guanidine Traditional Name: 1-cyano-1-ethyl-2-(3,3,4-trihydroxy-2,2-dimethyl-6-nitro-chroman-4-yl)guanidine Formula: C15H19N5O6 MolecularWeight: 365.34126

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C#N)C(=NC1(C2=C(C=CC(=C2)[N+](=O)[O-])OC(C1(O)O)(C)C)O)N

Isomeric SMILES

CCN(C#N)/C(=N\C1(C2=C(C=CC(=C2)[N+](=O)[O-])OC(C1(O)O)(C)C)O)/N

InChI

InChI=1S/C15H19N5O6/c1-4-19(8-16)12(17)18-14(21)10-7-9(20(24)25)5-6-11(10)26-13(2,3)15(14,22)23/h5-7,21-23H,4H2,1-3H3,(H2,17,18)