[2-[(2,4-dinitrophenyl)amino]ethoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [2-[(2,4-dinitrophenyl)amino]ethoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [2-(2,4-dinitroanilino)ethoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [2-(2,4-dinitroanilino)ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [2-(2,4-dinitroanilino)ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [2-(2,4-dinitroanilino)ethoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C8H12N3O14P3 MolecularWeight: 467.113863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C8H12N3O14P3/c12-10(13)6-1-2-7(8(5-6)11(14)15)9-3-4-23-27(19,20)25-28(21,22)24-26(16,17)18/h1-2,5,9H,3-4H2,(H,19,20)(H,21,22)(H2,16,17,18)