(2R,3S)-3-[bis(phenylmethyl)amino]-6-methyl-1-nitro-heptan-2-ol

Systemtic Name: (2R,3S)-3-[bis(phenylmethyl)amino]-6-methyl-1-nitro-heptan-2-ol Openeye Name: (2R,3S)-3-(dibenzylamino)-6-methyl-1-nitro-heptan-2-ol CAS Name: (2R,3S)-3-[bis(phenylmethyl)amino]-6-methyl-1-nitro-2-heptanol IUPAC Name: (2R,3S)-3-(dibenzylamino)-6-methyl-1-nitroheptan-2-ol Traditional Name: (2R,3S)-3-(dibenzylamino)-6-methyl-1-nitro-heptan-2-ol Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C(C[N+](=O)[O-])O)N(CC1=CC=CC=C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CC[C@@H]([C@@H](C[N+](=O)[O-])O)N(CC1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C22H30N2O3/c1-18(2)13-14-21(22(25)17-24(26)27)23(15-19-9-5-3-6-10-19)16-20-11-7-4-8-12-20/h3-12,18,21-22,25H,13-17H2,1-2H3/t21-,22+/m0/s1