3-[bis(pyridin-2-ylmethyl)amino]propyl (2,4-dinitrophenyl) hydrogen phosphate

Systemtic Name: 3-[bis(pyridin-2-ylmethyl)amino]propyl (2,4-dinitrophenyl) hydrogen phosphate Openeye Name: 3-[bis(2-pyridylmethyl)amino]propyl (2,4-dinitrophenyl) hydrogen phosphate CAS Name: 3-[bis(2-pyridinylmethyl)amino]propyl (2,4-dinitrophenyl) hydrogen phosphate IUPAC Name: 3-[bis(pyridin-2-ylmethyl)amino]propyl (2,4-dinitrophenyl) hydrogen phosphate Traditional Name: 3-[bis(2-pyridylmethyl)amino]propyl (2,4-dinitrophenyl) hydrogen phosphate Formula: C21H22N5O8P MolecularWeight: 503.401841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(CCCOP(=O)(O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC3=CC=CC=N3

Isomeric SMILES

C1=CC=NC(=C1)CN(CCCOP(=O)(O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC3=CC=CC=N3

InChI

InChI=1S/C21H22N5O8P/c27-25(28)19-8-9-21(20(14-19)26(29)30)34-35(31,32)33-13-5-12-24(15-17-6-1-3-10-22-17)16-18-7-2-4-11-23-18/h1-4,6-11,14H,5,12-13,15-16H2,(H,31,32)