N-[(E)-1-diethoxyphosphoryl-3-pyrrolidin-1-yl-but-1-enyl]-4-nitro-aniline

Systemtic Name: N-[(E)-1-diethoxyphosphoryl-3-pyrrolidin-1-yl-but-1-enyl]-4-nitro-aniline Openeye Name: N-[(E)-1-diethoxyphosphoryl-3-pyrrolidin-1-yl-but-1-enyl]-4-nitro-aniline CAS Name: N-[(E)-1-diethoxyphosphoryl-3-(1-pyrrolidinyl)but-1-enyl]-4-nitroaniline IUPAC Name: N-[(E)-1-diethoxyphosphoryl-3-pyrrolidin-1-ylbut-1-enyl]-4-nitroaniline Traditional Name: [(E)-1-diethoxyphosphoryl-3-pyrrolidino-but-1-enyl]-(4-nitrophenyl)amine Formula: C18H28N3O5P MolecularWeight: 397.405781

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=CC(C)N1CCCC1)NC2=CC=C(C=C2)[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(/C(=C/C(C)N1CCCC1)/NC2=CC=C(C=C2)[N+](=O)[O-])OCC

InChI

InChI=1S/C18H28N3O5P/c1-4-25-27(24,26-5-2)18(14-15(3)20-12-6-7-13-20)19-16-8-10-17(11-9-16)21(22)23/h8-11,14-15,19H,4-7,12-13H2,1-3H3/b18-14+