N-[diethoxyphosphoryl-(3-nitrophenyl)methyl]-4-methoxy-2-nitro-aniline

Systemtic Name: N-[diethoxyphosphoryl-(3-nitrophenyl)methyl]-4-methoxy-2-nitro-aniline Openeye Name: N-[diethoxyphosphoryl-(3-nitrophenyl)methyl]-4-methoxy-2-nitro-aniline CAS Name: N-[diethoxyphosphoryl-(3-nitrophenyl)methyl]-4-methoxy-2-nitroaniline IUPAC Name: N-[diethoxyphosphoryl-(3-nitrophenyl)methyl]-4-methoxy-2-nitroaniline Traditional Name: [diethoxyphosphoryl-(3-nitrophenyl)methyl]-(4-methoxy-2-nitro-phenyl)amine Formula: C18H22N3O8P MolecularWeight: 439.356341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N3O8P/c1-4-28-30(26,29-5-2)18(13-7-6-8-14(11-13)20(22)23)19-16-10-9-15(27-3)12-17(16)21(24)25/h6-12,18-19H,4-5H2,1-3H3