[2-methyl-2-nitro-5-(prop-2-enylamino)pentyl] diphenyl phosphate

Systemtic Name: [2-methyl-2-nitro-5-(prop-2-enylamino)pentyl] diphenyl phosphate Openeye Name: [5-(allylamino)-2-methyl-2-nitro-pentyl] diphenyl phosphate CAS Name: phosphoric acid [2-methyl-2-nitro-5-(prop-2-enylamino)pentyl] diphenyl ester IUPAC Name: [2-methyl-2-nitro-5-(prop-2-enylamino)pentyl] diphenyl phosphate Traditional Name: phosphoric acid [5-(allylamino)-2-methyl-2-nitro-pentyl] diphenyl ester Formula: C21H27N2O6P MolecularWeight: 434.422641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N2O6P/c1-3-16-22-17-10-15-21(2,23(24)25)18-27-30(26,28-19-11-6-4-7-12-19)29-20-13-8-5-9-14-20/h3-9,11-14,22H,1,10,15-18H2,2H3