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

Systemtic Name: 1-cyano-1-[2-(1,3-dioxolan-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-dioxolan-2-yl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]guanidine CAS Name: 1-cyano-1-[2-(1,3-dioxolan-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-dioxolan-2-yl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]guanidine Traditional Name: 2-benzyl-1-cyano-1-[2-(1,3-dioxolan-2-yl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]guanidine Formula: C22H23N5O6 MolecularWeight: 453.44792

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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)C4OCCO4

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N(C#N)C(=NCC3=CC=CC=C3)N)O)C4OCCO4

InChI

InChI=1S/C22H23N5O6/c1-22(20-31-9-10-32-20)19(28)18(16-11-15(27(29)30)7-8-17(16)33-22)26(13-23)21(24)25-12-14-5-3-2-4-6-14/h2-8,11,18-20,28H,9-10,12H2,1H3,(H2,24,25)