4-[[4-(3-chloranyl-5-nitro-phenyl)butylamino]methyl]-2,2-dimethyl-3H-chromen-4-ol

Systemtic Name: 4-[[4-(3-chloranyl-5-nitro-phenyl)butylamino]methyl]-2,2-dimethyl-3H-chromen-4-ol Openeye Name: 4-[[4-(3-chloro-5-nitro-phenyl)butylamino]methyl]-2,2-dimethyl-chroman-4-ol CAS Name: 4-[[4-(3-chloro-5-nitrophenyl)butylamino]methyl]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-ol IUPAC Name: 4-[[4-(3-chloro-5-nitrophenyl)butylamino]methyl]-2,2-dimethyl-3H-chromen-4-ol Traditional Name: 4-[[4-(3-chloro-5-nitro-phenyl)butylamino]methyl]-2,2-dimethyl-chroman-4-ol Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CC=CC=C2O1)(CNCCCCC3=CC(=CC(=C3)Cl)[N+](=O)[O-])O)C

Isomeric SMILES

CC1(CC(C2=CC=CC=C2O1)(CNCCCCC3=CC(=CC(=C3)Cl)[N+](=O)[O-])O)C

InChI

InChI=1S/C22H27ClN2O4/c1-21(2)14-22(26,19-8-3-4-9-20(19)29-21)15-24-10-6-5-7-16-11-17(23)13-18(12-16)25(27)28/h3-4,8-9,11-13,24,26H,5-7,10,14-15H2,1-2H3