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

Systemtic Name: 1-cyano-3-[(2S)-2-(dimethoxymethyl)-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]-2-(phenylmethyl)guanidine Openeye Name: 2-benzyl-1-cyano-3-[(2S)-2-(dimethoxymethyl)-2-methyl-6-nitro-chroman-4-yl]guanidine CAS Name: 1-cyano-3-[(2S)-2-(dimethoxymethyl)-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(phenylmethyl)guanidine IUPAC Name: 2-benzyl-1-cyano-3-[(2S)-2-(dimethoxymethyl)-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]guanidine Traditional Name: 2-benzyl-1-cyano-3-[(2S)-2-(dimethoxymethyl)-2-methyl-6-nitro-chroman-4-yl]guanidine Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@]1(CC(C2=C(O1)C=CC(=C2)[N+](=O)[O-])NC(=NCC3=CC=CC=C3)NC#N)C(OC)OC

InChI

InChI=1S/C22H25N5O5/c1-22(20(30-2)31-3)12-18(17-11-16(27(28)29)9-10-19(17)32-22)26-21(25-14-23)24-13-15-7-5-4-6-8-15/h4-11,18,20H,12-13H2,1-3H3,(H2,24,25,26)/t18?,22-/m0/s1