(Z)-1-diethoxyphosphoryl-N1-(4-nitrophenyl)-N3-(phenylmethyl)but-1-ene-1,3-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=CC(C)NCC1=CC=CC=C1)NC2=CC=C(C=C2)[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(/C(=C\C(C)NCC1=CC=CC=C1)/NC2=CC=C(C=C2)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H28N3O5P/c1-4-28-30(27,29-5-2)21(23-19-11-13-20(14-12-19)24(25)26)15-17(3)22-16-18-9-7-6-8-10-18/h6-15,17,22-23H,4-5,16H2,1-3H3/b21-15-