[2-methyl-2-nitro-7-(prop-2-enylamino)heptan-3-yl] diphenyl phosphate

Systemtic Name: [2-methyl-2-nitro-7-(prop-2-enylamino)heptan-3-yl] diphenyl phosphate Openeye Name: [5-(allylamino)-1-(1-methyl-1-nitro-ethyl)pentyl] diphenyl phosphate CAS Name: phosphoric acid [2-methyl-2-nitro-7-(prop-2-enylamino)heptan-3-yl] diphenyl ester IUPAC Name: [2-methyl-2-nitro-7-(prop-2-enylamino)heptan-3-yl] diphenyl phosphate Traditional Name: phosphoric acid [5-(allylamino)-1-(1-methyl-1-nitro-ethyl)pentyl] diphenyl ester Formula: C23H31N2O6P MolecularWeight: 462.475801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N2O6P/c1-4-18-24-19-12-11-17-22(23(2,3)25(26)27)31-32(28,29-20-13-7-5-8-14-20)30-21-15-9-6-10-16-21/h4-10,13-16,22,24H,1,11-12,17-19H2,2-3H3