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

Systemtic Name: 1-cyano-1-[2-(1,3-dioxan-2-yl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-2-(phenylmethyl)guanidine Openeye Name: 2-benzyl-1-cyano-1-[2-(1,3-dioxan-2-yl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]guanidine CAS Name: 1-cyano-1-[2-(1,3-dioxan-2-yl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(phenylmethyl)guanidine IUPAC Name: 2-benzyl-1-cyano-1-[2-(1,3-dioxan-2-yl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]guanidine Traditional Name: 2-benzyl-1-cyano-1-[2-(1,3-dioxan-2-yl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]guanidine Formula: C23H25N5O6 MolecularWeight: 467.4745

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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)C4OCCCO4

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N(C#N)C(=NCC3=CC=CC=C3)N)O)C4OCCCO4

InChI

InChI=1S/C23H25N5O6/c1-23(21-32-10-5-11-33-21)20(29)19(17-12-16(28(30)31)8-9-18(17)34-23)27(14-24)22(25)26-13-15-6-3-2-4-7-15/h2-4,6-9,12,19-21,29H,5,10-11,13H2,1H3,(H2,25,26)