1-cyano-2-[2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-5-yl]-3-(4-methoxyphenyl)guanidine

Systemtic Name: 1-cyano-2-[2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-5-yl]-3-(4-methoxyphenyl)guanidine Openeye Name: 1-cyano-2-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-5-yl]-3-(4-methoxyphenyl)guanidine CAS Name: 1-cyano-2-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-5-yl]-3-(4-methoxyphenyl)guanidine IUPAC Name: 1-cyano-2-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-5-yl]-3-(4-methoxyphenyl)guanidine Traditional Name: 1-cyano-2-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-5-yl]-3-(4-methoxyphenyl)guanidine Formula: C22H25N5O7 MolecularWeight: 471.4632

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC2=C(O1)C=CC(=C2N=C(NC#N)NC3=CC=C(C=C3)OC)[N+](=O)[O-])O)C(OC)OC

Isomeric SMILES

CC1(C(CC2=C(O1)C=CC(=C2N=C(NC#N)NC3=CC=C(C=C3)OC)[N+](=O)[O-])O)C(OC)OC

InChI

InChI=1S/C22H25N5O7/c1-22(20(32-3)33-4)18(28)11-15-17(34-22)10-9-16(27(29)30)19(15)26-21(24-12-23)25-13-5-7-14(31-2)8-6-13/h5-10,18,20,28H,11H2,1-4H3,(H2,24,25,26)