(E)-1-diethoxyphosphoryl-N3-(2-methylpropyl)-N1-(4-nitrophenyl)but-1-ene-1,3-diamine

Systemtic Name: (E)-1-diethoxyphosphoryl-N3-(2-methylpropyl)-N1-(4-nitrophenyl)but-1-ene-1,3-diamine Openeye Name: (E)-1-diethoxyphosphoryl-N3-isobutyl-N1-(4-nitrophenyl)but-1-ene-1,3-diamine CAS Name: (E)-1-diethoxyphosphoryl-N3-(2-methylpropyl)-N1-(4-nitrophenyl)-1-butene-1,3-diamine IUPAC Name: (E)-1-diethoxyphosphoryl-3-N-(2-methylpropyl)-1-N-(4-nitrophenyl)but-1-ene-1,3-diamine Traditional Name: [(E)-1-diethoxyphosphoryl-3-(isobutylamino)but-1-enyl]-(4-nitrophenyl)amine Formula: C18H30N3O5P MolecularWeight: 399.421661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N3O5P/c1-6-25-27(24,26-7-2)18(12-15(5)19-13-14(3)4)20-16-8-10-17(11-9-16)21(22)23/h8-12,14-15,19-20H,6-7,13H2,1-5H3/b18-12+