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

Systemtic Name: (E)-1-diethoxyphosphoryl-N1-(4-nitrophenyl)-N3-prop-2-ynyl-but-1-ene-1,3-diamine Openeye Name: (E)-1-diethoxyphosphoryl-N1-(4-nitrophenyl)-N3-prop-2-ynyl-but-1-ene-1,3-diamine CAS Name: (E)-1-diethoxyphosphoryl-N1-(4-nitrophenyl)-N3-prop-2-ynyl-1-butene-1,3-diamine IUPAC Name: (E)-1-diethoxyphosphoryl-1-N-(4-nitrophenyl)-3-N-prop-2-ynylbut-1-ene-1,3-diamine Traditional Name: [(E)-3-diethoxyphosphoryl-1-methyl-3-(4-nitroanilino)allyl]-propargyl-amine Formula: C17H24N3O5P MolecularWeight: 381.363321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N3O5P/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/h1,8-11,13-14,18-19H,6-7,12H2,2-4H3/b17-13+