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

Systemtic Name: (E)-1-diethoxyphosphoryl-N1,N3-bis(4-nitrophenyl)but-1-ene-1,3-diamine Openeye Name: (E)-1-diethoxyphosphoryl-N1,N3-bis(4-nitrophenyl)but-1-ene-1,3-diamine CAS Name: (E)-1-diethoxyphosphoryl-N1,N3-bis(4-nitrophenyl)-1-butene-1,3-diamine IUPAC Name: (E)-1-diethoxyphosphoryl-1-N,3-N-bis(4-nitrophenyl)but-1-ene-1,3-diamine Traditional Name: [(E)-3-diethoxyphosphoryl-1-methyl-3-(4-nitroanilino)allyl]-(4-nitrophenyl)amine Formula: C20H25N4O7P MolecularWeight: 464.408861

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=CC(C)NC1=CC=C(C=C1)[N+](=O)[O-])NC2=CC=C(C=C2)[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(/C(=C/C(C)NC1=CC=C(C=C1)[N+](=O)[O-])/NC2=CC=C(C=C2)[N+](=O)[O-])OCC

InChI

InChI=1S/C20H25N4O7P/c1-4-30-32(29,31-5-2)20(22-17-8-12-19(13-9-17)24(27)28)14-15(3)21-16-6-10-18(11-7-16)23(25)26/h6-15,21-22H,4-5H2,1-3H3/b20-14+