(E)-1-diethoxyphosphoryl-N1-(4-nitrophenyl)-N3-propyl-but-1-ene-1,3-diamine

Systemtic Name: (E)-1-diethoxyphosphoryl-N1-(4-nitrophenyl)-N3-propyl-but-1-ene-1,3-diamine Openeye Name: (E)-1-diethoxyphosphoryl-N1-(4-nitrophenyl)-N3-propyl-but-1-ene-1,3-diamine CAS Name: (E)-1-diethoxyphosphoryl-N1-(4-nitrophenyl)-N3-propyl-1-butene-1,3-diamine IUPAC Name: (E)-1-diethoxyphosphoryl-1-N-(4-nitrophenyl)-3-N-propylbut-1-ene-1,3-diamine Traditional Name: [(E)-3-diethoxyphosphoryl-1-methyl-3-(4-nitroanilino)allyl]-propyl-amine Formula: C17H28N3O5P MolecularWeight: 385.395081

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(C)C=C(NC1=CC=C(C=C1)[N+](=O)[O-])P(=O)(OCC)OCC

Isomeric SMILES

CCCNC(C)/C=C(\NC1=CC=C(C=C1)[N+](=O)[O-])/P(=O)(OCC)OCC

InChI

InChI=1S/C17H28N3O5P/c1-5-12-18-14(4)13-17(26(23,24-6-2)25-7-3)19-15-8-10-16(11-9-15)20(21)22/h8-11,13-14,18-19H,5-7,12H2,1-4H3/b17-13+