4-azido-N-ethyl-2-nitro-aniline diphosphate

Systemtic Name: 4-azido-N-ethyl-2-nitro-aniline diphosphate Openeye Name: 4-azido-N-ethyl-2-nitro-aniline diphosphate CAS Name: 4-azido-N-ethyl-2-nitroaniline diphosphate IUPAC Name: 4-azido-N-ethyl-2-nitroaniline diphosphate Traditional Name: (4-azido-2-nitro-phenyl)-ethyl-amine diphosphate Formula: C8H9N5O10P2-6 MolecularWeight: 397.132082

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)N=[N+]=[N-])[N+](=O)[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)N=[N+]=[N-])[N+](=O)[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C8H9N5O2.2H3O4P/c1-2-10-7-4-3-6(11-12-9)5-8(7)13(14)15;2*1-5(2,3)4/h3-5,10H,2H2,1H3;2*(H3,1,2,3,4)/p-6