1-cyano-1-[2-(dimethoxymethyl)-2-methyl-6-nitro-chromen-4-yl]-2-(phenylmethyl)guanidine

Systemtic Name: 1-cyano-1-[2-(dimethoxymethyl)-2-methyl-6-nitro-chromen-4-yl]-2-(phenylmethyl)guanidine Openeye Name: 2-benzyl-1-cyano-1-[2-(dimethoxymethyl)-2-methyl-6-nitro-chromen-4-yl]guanidine CAS Name: 1-cyano-1-[2-(dimethoxymethyl)-2-methyl-6-nitro-1-benzopyran-4-yl]-2-(phenylmethyl)guanidine IUPAC Name: 2-benzyl-1-cyano-1-[2-(dimethoxymethyl)-2-methyl-6-nitrochromen-4-yl]guanidine Traditional Name: 2-benzyl-1-cyano-1-[2-(dimethoxymethyl)-2-methyl-6-nitro-chromen-4-yl]guanidine Formula: C22H23N5O5 MolecularWeight: 437.44852

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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)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)C(OC)OC

InChI

InChI=1S/C22H23N5O5/c1-22(20(30-2)31-3)12-18(17-11-16(27(28)29)9-10-19(17)32-22)26(14-23)21(24)25-13-15-7-5-4-6-8-15/h4-12,20H,13H2,1-3H3,(H2,24,25)