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

Systemtic Name: 4-azido-N-ethyl-2-nitro-aniline triphosphate Openeye Name: 4-azido-N-ethyl-2-nitro-aniline triphosphate CAS Name: 4-azido-N-ethyl-2-nitroaniline triphosphate IUPAC Name: 4-azido-N-ethyl-2-nitroaniline triphosphate Traditional Name: (4-azido-2-nitro-phenyl)-ethyl-amine triphosphate Formula: C8H9N5O14P3-9 MolecularWeight: 492.103443

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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-].[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-].[O-]P(=O)([O-])[O-]

InChI

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