(2R)-1-[[(2S)-6-methylheptan-2-yl]amino]-3-(3-nitrophenoxy)propan-2-ol

Systemtic Name: (2R)-1-[[(2S)-6-methylheptan-2-yl]amino]-3-(3-nitrophenoxy)propan-2-ol Openeye Name: (2R)-1-[[(1S)-1,5-dimethylhexyl]amino]-3-(3-nitrophenoxy)propan-2-ol CAS Name: (2R)-1-[[(2S)-6-methylheptan-2-yl]amino]-3-(3-nitrophenoxy)-2-propanol IUPAC Name: (2R)-1-[[(2S)-6-methylheptan-2-yl]amino]-3-(3-nitrophenoxy)propan-2-ol Traditional Name: (2R)-1-[[(1S)-1,5-dimethylhexyl]amino]-3-(3-nitrophenoxy)propan-2-ol Formula: C17H28N2O4 MolecularWeight: 324.41522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NCC(COC1=CC=CC(=C1)[N+](=O)[O-])O

Isomeric SMILES

C[C@@H](CCCC(C)C)NC[C@H](COC1=CC=CC(=C1)[N+](=O)[O-])O

InChI

InChI=1S/C17H28N2O4/c1-13(2)6-4-7-14(3)18-11-16(20)12-23-17-9-5-8-15(10-17)19(21)22/h5,8-10,13-14,16,18,20H,4,6-7,11-12H2,1-3H3/t14-,16+/m0/s1