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

Systemtic Name: [2-methyl-2-nitro-6-(prop-2-enylamino)hexan-3-yl] diphenyl phosphate Openeye Name: [4-(allylamino)-1-(1-methyl-1-nitro-ethyl)butyl] diphenyl phosphate CAS Name: phosphoric acid [2-methyl-2-nitro-6-(prop-2-enylamino)hexan-3-yl] diphenyl ester IUPAC Name: [2-methyl-2-nitro-6-(prop-2-enylamino)hexan-3-yl] diphenyl phosphate Traditional Name: phosphoric acid [4-(allylamino)-1-(1-methyl-1-nitro-ethyl)butyl] diphenyl ester Formula: C22H29N2O6P MolecularWeight: 448.449221

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

InChI

InChI=1S/C22H29N2O6P/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/h4-10,12-15,21,23H,1,11,16-18H2,2-3H3