2-[3-[(2-methyl-4-phenyl-butan-2-yl)amino]-2-oxidanyl-propoxy]-6-nitro-benzenecarbonitrile

Systemtic Name: 2-[3-[(2-methyl-4-phenyl-butan-2-yl)amino]-2-oxidanyl-propoxy]-6-nitro-benzenecarbonitrile Openeye Name: 2-[3-[(1,1-dimethyl-3-phenyl-propyl)amino]-2-hydroxy-propoxy]-6-nitro-benzonitrile CAS Name: 2-[2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)amino]propoxy]-6-nitrobenzonitrile IUPAC Name: 2-[2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)amino]propoxy]-6-nitrobenzonitrile Traditional Name: 2-[3-[(1,1-dimethyl-3-phenyl-propyl)amino]-2-hydroxy-propoxy]-6-nitro-benzonitrile Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=CC=CC=C1)NCC(COC2=CC=CC(=C2C#N)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(CCC1=CC=CC=C1)NCC(COC2=CC=CC(=C2C#N)[N+](=O)[O-])O

InChI

InChI=1S/C21H25N3O4/c1-21(2,12-11-16-7-4-3-5-8-16)23-14-17(25)15-28-20-10-6-9-19(24(26)27)18(20)13-22/h3-10,17,23,25H,11-12,14-15H2,1-2H3