4-[3-[[1-(4-methoxyphenyl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]-3-nitro-benzenecarbonitrile chloride

Systemtic Name: 4-[3-[[1-(4-methoxyphenyl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]-3-nitro-benzenecarbonitrile chloride Openeye Name: 4-[2-hydroxy-3-[[2-(4-methoxyphenyl)-1,1-dimethyl-ethyl]amino]propoxy]-3-nitro-benzonitrile chloride CAS Name: 4-[2-hydroxy-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propoxy]-3-nitrobenzonitrile chloride IUPAC Name: 4-[2-hydroxy-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propoxy]-3-nitrobenzonitrile chloride Traditional Name: 4-[2-hydroxy-3-[[2-(4-methoxyphenyl)-1,1-dimethyl-ethyl]amino]propoxy]-3-nitro-benzonitrile chloride Formula: C21H25ClN3O5- MolecularWeight: 434.8933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)OC)NCC(COC2=C(C=C(C=C2)C#N)[N+](=O)[O-])O.[Cl-]

Isomeric SMILES

CC(C)(CC1=CC=C(C=C1)OC)NCC(COC2=C(C=C(C=C2)C#N)[N+](=O)[O-])O.[Cl-]

InChI

InChI=1S/C21H25N3O5.ClH/c1-21(2,11-15-4-7-18(28-3)8-5-15)23-13-17(25)14-29-20-9-6-16(12-22)10-19(20)24(26)27;/h4-10,17,23,25H,11,13-14H2,1-3H3;1H/p-1