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

Systemtic Name: (E)-1-diethoxyphosphoryl-N3-(4-methylphenyl)-N1-(4-nitrophenyl)but-1-ene-1,3-diamine Openeye Name: (E)-1-diethoxyphosphoryl-N1-(4-nitrophenyl)-N3-(p-tolyl)but-1-ene-1,3-diamine CAS Name: (E)-1-diethoxyphosphoryl-N3-(4-methylphenyl)-N1-(4-nitrophenyl)-1-butene-1,3-diamine IUPAC Name: (E)-1-diethoxyphosphoryl-3-N-(4-methylphenyl)-1-N-(4-nitrophenyl)but-1-ene-1,3-diamine Traditional Name: [(E)-3-diethoxyphosphoryl-1-methyl-3-(4-nitroanilino)allyl]-(p-tolyl)amine Formula: C21H28N3O5P MolecularWeight: 433.437881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N3O5P/c1-5-28-30(27,29-6-2)21(23-19-11-13-20(14-12-19)24(25)26)15-17(4)22-18-9-7-16(3)8-10-18/h7-15,17,22-23H,5-6H2,1-4H3/b21-15+