N-[(E)-1-diethoxyphosphorylbut-2-enyl]-4-nitro-aniline

Systemtic Name: N-[(E)-1-diethoxyphosphorylbut-2-enyl]-4-nitro-aniline Openeye Name: N-[(E)-1-diethoxyphosphorylbut-2-enyl]-4-nitro-aniline CAS Name: N-[(E)-1-diethoxyphosphorylbut-2-enyl]-4-nitroaniline IUPAC Name: N-[(E)-1-diethoxyphosphorylbut-2-enyl]-4-nitroaniline Traditional Name: [(E)-1-diethoxyphosphorylbut-2-enyl]-(4-nitrophenyl)amine Formula: C14H21N2O5P MolecularWeight: 328.300701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N2O5P/c1-4-7-14(22(19,20-5-2)21-6-3)15-12-8-10-13(11-9-12)16(17)18/h4,7-11,14-15H,5-6H2,1-3H3/b7-4+