N-[(E)-1-diethoxyphosphoryl-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]but-1-enyl]-4-nitro-aniline

Systemtic Name: N-[(E)-1-diethoxyphosphoryl-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]but-1-enyl]-4-nitro-aniline Openeye Name: N-[(E)-1-diethoxyphosphoryl-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]but-1-enyl]-4-nitro-aniline CAS Name: N-[(E)-1-diethoxyphosphoryl-3-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]but-1-enyl]-4-nitroaniline IUPAC Name: N-[(E)-1-diethoxyphosphoryl-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]but-1-enyl]-4-nitroaniline Traditional Name: [(E)-1-diethoxyphosphoryl-3-[(2S)-2-(methoxymethyl)pyrrolidino]but-1-enyl]-(4-nitrophenyl)amine Formula: C20H32N3O6P MolecularWeight: 441.458341

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=CC(C)N1CCCC1COC)NC2=CC=C(C=C2)[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(/C(=C/C(C)N1CCC[C@H]1COC)/NC2=CC=C(C=C2)[N+](=O)[O-])OCC

InChI

InChI=1S/C20H32N3O6P/c1-5-28-30(26,29-6-2)20(21-17-9-11-18(12-10-17)23(24)25)14-16(3)22-13-7-8-19(22)15-27-4/h9-12,14,16,19,21H,5-8,13,15H2,1-4H3/b20-14+/t16?,19-/m0/s1