N-[diethoxyphosphoryl-(3-nitrophenyl)methyl]-4-nitro-aniline

Systemtic Name: N-[diethoxyphosphoryl-(3-nitrophenyl)methyl]-4-nitro-aniline Openeye Name: N-[diethoxyphosphoryl-(3-nitrophenyl)methyl]-4-nitro-aniline CAS Name: N-[diethoxyphosphoryl-(3-nitrophenyl)methyl]-4-nitroaniline IUPAC Name: N-[diethoxyphosphoryl-(3-nitrophenyl)methyl]-4-nitroaniline Traditional Name: [diethoxyphosphoryl-(3-nitrophenyl)methyl]-(4-nitrophenyl)amine Formula: C17H20N3O7P MolecularWeight: 409.330361

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC(=CC=C1)[N+](=O)[O-])NC2=CC=C(C=C2)[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC(=CC=C1)[N+](=O)[O-])NC2=CC=C(C=C2)[N+](=O)[O-])OCC

InChI

InChI=1S/C17H20N3O7P/c1-3-26-28(25,27-4-2)17(13-6-5-7-16(12-13)20(23)24)18-14-8-10-15(11-9-14)19(21)22/h5-12,17-18H,3-4H2,1-2H3