[(3R)-2-methyl-2-nitro-6-(prop-2-ynylamino)hexan-3-yl] diphenyl phosphate

Systemtic Name: [(3R)-2-methyl-2-nitro-6-(prop-2-ynylamino)hexan-3-yl] diphenyl phosphate Openeye Name: [(1R)-1-(1-methyl-1-nitro-ethyl)-4-(prop-2-ynylamino)butyl] diphenyl phosphate CAS Name: phosphoric acid [(3R)-2-methyl-2-nitro-6-(prop-2-ynylamino)hexan-3-yl] diphenyl ester IUPAC Name: [(3R)-2-methyl-2-nitro-6-(prop-2-ynylamino)hexan-3-yl] diphenyl phosphate Traditional Name: phosphoric acid [(1R)-1-(1-methyl-1-nitro-ethyl)-4-(propargylamino)butyl] diphenyl ester Formula: C22H27N2O6P MolecularWeight: 446.433341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CCCNCC#C)OP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)([C@@H](CCCNCC#C)OP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H27N2O6P/c1-4-17-23-18-11-16-21(22(2,3)24(25)26)30-31(27,28-19-12-7-5-8-13-19)29-20-14-9-6-10-15-20/h1,5-10,12-15,21,23H,11,16-18H2,2-3H3/t21-/m1/s1